(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine

C85H112Cl2N16O7 — CID 159366937

About (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine

(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine (PubChem CID 159366937) has the molecular formula C85H112Cl2N16O7 and a molecular weight of 1540.84 g/mol. Its IUPAC name is (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine.

Molecular Properties

• Compound Name: (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine
• PubChem CID: 159366937
• Molecular Formula: C85H112Cl2N16O7
• Molecular Weight: 1540.84 g/mol
• Exact Mass: 1538.83
• IUPAC Name: (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine
• SMILES: CN1CCC(CCN)CC1.CN1CCC(CCNC(=O)/C=C/c2ccc(-c3cc(Cl)c4cnccc4n3)o2)CC1.CN1CCC(CCNC(=O)/C=C/c2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)o2)CC1.NCCCN1CCCCC1.O=C(O)/C=C/c1ccc(-c2cc(Cl)c3cnccc3n2)o1
• InChI: InChI=1S/C31H42N6O2.C23H25ClN4O2.C15H9ClN2O3.2C8H18N2/c1-36-20-12-24(13-21-36)10-16-34-31(38)9-7-25-6-8-30(39-25)29-22-28(26-23-32-15-11-27(26)35-29)33-14-5-19-37-17-3-2-4-18-37;1-28-12-8-16(9-13-28)6-11-26-23(29)5-3-17-2-4-22(30-17)21-14-19(24)18-15-25-10-7-20(18)27-21;16-11-7-13(18-12-5-6-17-8-10(11)12)14-3-1-9(21-14)2-4-15(19)20;1-10-6-3-8(2-5-9)4-7-10;9-5-4-8-10-6-2-1-3-7-10/h6-9,11,15,22-24H,2-5,10,12-14,16-21H2,1H3,(H,33,35)(H,34,38);2-5,7,10,14-16H,6,8-9,11-13H2,1H3,(H,26,29);1-8H,(H,19,20);8H,2-7,9H2,1H3;1-9H2/b9-7+;5-3+;4-2+
• InChIKey: LJGBXDOKUIAUMB-OVKWFMSFSA-N
• XLogP: 14.58
• TPSA: 292.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1540.84
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine?

The IUPAC name of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine (CID 159366937) is (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine.

What is the SMILES notation for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine?

The canonical SMILES for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine is CN1CCC(CCN)CC1.CN1CCC(CCNC(=O)/C=C/c2ccc(-c3cc(Cl)c4cnccc4n3)o2)CC1.CN1CCC(CCNC(=O)/C=C/c2ccc(-c3cc(NCCCN4CCCCC4)c4cnccc4n3)o2)CC1.NCCCN1CCCCC1.O=C(O)/C=C/c1ccc(-c2cc(Cl)c3cnccc3n2)o1.

What is the InChIKey of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine?

The InChIKey is LJGBXDOKUIAUMB-OVKWFMSFSA-N. The full InChI is InChI=1S/C31H42N6O2.C23H25ClN4O2.C15H9ClN2O3.2C8H18N2/c1-36-20-12-24(13-21-36)10-16-34-31(38)9-7-25-6-8-30(39-25)29-22-28(26-23-32-15-11-27(26)35-29)33-14-5-19-37-17-3-2-4-18-37;1-28-12-8-16(9-13-28)6-11-26-23(29)5-3-17-2-4-22(30-17)21-14-19(24)18-15-25-10-7-20(18)27-21;16-11-7-13(18-12-5-6-17-8-10(11)12)14-3-1-9(21-14)2-4-15(19)20;1-10-6-3-8(2-5-9)4-7-10;9-5-4-8-10-6-2-1-3-7-10/h6-9,11,15,22-24H,2-5,10,12-14,16-21H2,1H3,(H,33,35)(H,34,38);2-5,7,10,14-16H,6,8-9,11-13H2,1H3,(H,26,29);1-8H,(H,19,20);8H,2-7,9H2,1H3;1-9H2/b9-7+;5-3+;4-2+;;.

What are the key properties of (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine?

(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine has a molecular weight of 1540.84 g/mol, XLogP of 14.58, 25 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]-N-[2-(1-methylpiperidin-4-yl)ethyl]prop-2-enamide;(E)-3-[5-(4-chloro-1,6-naphthyridin-2-yl)furan-2-yl]prop-2-enoic acid;2-(1-methylpiperidin-4-yl)ethanamine;(E)-N-[2-(1-methylpiperidin-4-yl)ethyl]-3-[5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]furan-2-yl]prop-2-enamide;3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 159366937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).