(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide

C24H23N7O2 — CID 155477816

IUPAC(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)/C=C/C(=O)N3CCC(C#N)CC3)ncc2c(N)n1
InChIInChI=1S/C24H23N7O2/c1-15-4-7-27-13-18(15)20-10-17-11-21(28-14-19(17)24(26)29-20)30-22(32)2-3-23(33)31-8-5-16(12-25)6-9-31/h2-4,7,10-11,13-14,16H,5-6,8-9H2,1H3,(H2,26,29)(H,28,30,32)/b3-2+
InChIKeyVVTNSNYZMMEWEH-NSCUHMNNSA-N
MW441.50 g/mol
LogP2.84
Rot. Bonds4

About (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide

(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide (PubChem CID 155477816) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide.

Molecular Properties

Compound Name(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
PubChem CID155477816
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)/C=C/C(=O)N3CCC(C#N)CC3)ncc2c(N)n1
InChIInChI=1S/C24H23N7O2/c1-15-4-7-27-13-18(15)20-10-17-11-21(28-14-19(17)24(26)29-20)30-22(32)2-3-23(33)31-8-5-16(12-25)6-9-31/h2-4,7,10-11,13-14,16H,5-6,8-9H2,1H3,(H2,26,29)(H,28,30,32)/b3-2+
InChIKeyVVTNSNYZMMEWEH-NSCUHMNNSA-N
XLogP2.84
TPSA137.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide?
The IUPAC name of (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide (CID 155477816) is (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide.
What is the SMILES notation for (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide?
The canonical SMILES for (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide is Cc1ccncc1-c1cc2cc(NC(=O)/C=C/C(=O)N3CCC(C#N)CC3)ncc2c(N)n1.
What is the InChIKey of (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide?
The InChIKey is VVTNSNYZMMEWEH-NSCUHMNNSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15-4-7-27-13-18(15)20-10-17-11-21(28-14-19(17)24(26)29-20)30-22(32)2-3-23(33)31-8-5-16(12-25)6-9-31/h2-4,7,10-11,13-14,16H,5-6,8-9H2,1H3,(H2,26,29)(H,28,30,32)/b3-2+.
What are the key properties of (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide?
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide has a molecular weight of 441.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide is sourced from PubChem (CID 155477816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).