N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide

C23H22N4O4 — CID 159215972

IUPACN-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
SMILESCOc1ccc2c(n1)N(C)C(=O)[C@@H](NC(=O)c1cc(Oc3ccccc3)ccn1)CC2
InChIInChI=1S/C23H22N4O4/c1-27-21-15(9-11-20(26-21)30-2)8-10-18(23(27)29)25-22(28)19-14-17(12-13-24-19)31-16-6-4-3-5-7-16/h3-7,9,11-14,18H,8,10H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyKRBMJRMRQTZJLP-SFHVURJKSA-N
MW418.45 g/mol
LogP2.99
Rot. Bonds5

About N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide

N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide (PubChem CID 159215972) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
PubChem CID159215972
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
SMILESCOc1ccc2c(n1)N(C)C(=O)[C@@H](NC(=O)c1cc(Oc3ccccc3)ccn1)CC2
InChIInChI=1S/C23H22N4O4/c1-27-21-15(9-11-20(26-21)30-2)8-10-18(23(27)29)25-22(28)19-14-17(12-13-24-19)31-16-6-4-3-5-7-16/h3-7,9,11-14,18H,8,10H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyKRBMJRMRQTZJLP-SFHVURJKSA-N
XLogP2.99
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide 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 N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide?
The IUPAC name of N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide (CID 159215972) is N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide is COc1ccc2c(n1)N(C)C(=O)[C@@H](NC(=O)c1cc(Oc3ccccc3)ccn1)CC2.
What is the InChIKey of N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide?
The InChIKey is KRBMJRMRQTZJLP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-27-21-15(9-11-20(26-21)30-2)8-10-18(23(27)29)25-22(28)19-14-17(12-13-24-19)31-16-6-4-3-5-7-16/h3-7,9,11-14,18H,8,10H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide?
N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-methoxy-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 159215972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).