(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide

C25H37N5O2 — CID 166940299

IUPAC(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide
SMILESCC/C=C(\CC)C(C)(Nc1cc2nc(C(C)(O)C3CCNCC3)ccc2cn1)C(=O)NC
InChIInChI=1S/C25H37N5O2/c1-6-8-18(7-2)24(3,23(31)26-5)30-22-15-20-17(16-28-22)9-10-21(29-20)25(4,32)19-11-13-27-14-12-19/h8-10,15-16,19,27,32H,6-7,11-14H2,1-5H3,(H,26,31)(H,28,30)/b18-8+
InChIKeyXWUZCRMROMOTAT-QGMBQPNBSA-N
MW439.60 g/mol
LogP3.50
Rot. Bonds8

About (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide

(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide (PubChem CID 166940299) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide.

Molecular Properties

Compound Name(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide
PubChem CID166940299
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC Name(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide
SMILESCC/C=C(\CC)C(C)(Nc1cc2nc(C(C)(O)C3CCNCC3)ccc2cn1)C(=O)NC
InChIInChI=1S/C25H37N5O2/c1-6-8-18(7-2)24(3,23(31)26-5)30-22-15-20-17(16-28-22)9-10-21(29-20)25(4,32)19-11-13-27-14-12-19/h8-10,15-16,19,27,32H,6-7,11-14H2,1-5H3,(H,26,31)(H,28,30)/b18-8+
InChIKeyXWUZCRMROMOTAT-QGMBQPNBSA-N
XLogP3.50
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[7-(2-fluoro-5-piperazin-1-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439898
1-(7-chloro-1,6-naphthyridin-2-yl)-1-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol
CID 166940512
4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
CID 166940507
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166629066
N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
CID 142584586
piperidin-4-yl 4-[(1R)-1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 75203671
N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71220844
N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 142584352
1-[4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexyl]ethanone
CID 90380585
hydroxymethyl 4-[(1R)-1-hydroxy-1-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethyl]cyclohexane-1-carboxylate
CID 118459937
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
pentyl 4-[1-[5-[6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-methyl-2-pyridinyl]-2-pyridinyl]-1-hydroxyethyl]cyclohexane-1-carboxylate
CID 70982747

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide?
The IUPAC name of (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide (CID 166940299) is (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide.
What is the SMILES notation for (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide?
The canonical SMILES for (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide is CC/C=C(\CC)C(C)(Nc1cc2nc(C(C)(O)C3CCNCC3)ccc2cn1)C(=O)NC.
What is the InChIKey of (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide?
The InChIKey is XWUZCRMROMOTAT-QGMBQPNBSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-6-8-18(7-2)24(3,23(31)26-5)30-22-15-20-17(16-28-22)9-10-21(29-20)25(4,32)19-11-13-27-14-12-19/h8-10,15-16,19,27,32H,6-7,11-14H2,1-5H3,(H,26,31)(H,28,30)/b18-8+.
What are the key properties of (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide?
(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide has a molecular weight of 439.60 g/mol, XLogP of 3.50, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide is sourced from PubChem (CID 166940299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).