N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H29N7O5 — CID 137497203

IUPACN-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCO[C@H]1CCN(c2cc(NC(=O)N3CCCc4cc(CN5C(=C=O)OC[C@@H]5C)c(C=O)nc43)ncc2C#N)C1
InChIInChI=1S/C27H29N7O5/c1-17-16-39-25(15-36)34(17)12-19-8-18-4-3-6-33(26(18)30-22(19)14-35)27(37)31-24-9-23(20(10-28)11-29-24)32-7-5-21(13-32)38-2/h8-9,11,14,17,21H,3-7,12-13,16H2,1-2H3,(H,29,31,37)/t17-,21-/m0/s1
InChIKeyNBKICNGMRNRQCF-UWJYYQICSA-N
MW531.57 g/mol
LogP2.26
Rot. Bonds6

About N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 137497203) has the molecular formula C27H29N7O5 and a molecular weight of 531.57 g/mol. Its IUPAC name is N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID137497203
Molecular FormulaC27H29N7O5
Molecular Weight531.57 g/mol
Exact Mass531.22
IUPAC NameN-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCO[C@H]1CCN(c2cc(NC(=O)N3CCCc4cc(CN5C(=C=O)OC[C@@H]5C)c(C=O)nc43)ncc2C#N)C1
InChIInChI=1S/C27H29N7O5/c1-17-16-39-25(15-36)34(17)12-19-8-18-4-3-6-33(26(18)30-22(19)14-35)27(37)31-24-9-23(20(10-28)11-29-24)32-7-5-21(13-32)38-2/h8-9,11,14,17,21H,3-7,12-13,16H2,1-2H3,(H,29,31,37)/t17-,21-/m0/s1
InChIKeyNBKICNGMRNRQCF-UWJYYQICSA-N
XLogP2.26
TPSA140.99 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-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-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 137497203) is N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@H]1CCN(c2cc(NC(=O)N3CCCc4cc(CN5C(=C=O)OC[C@@H]5C)c(C=O)nc43)ncc2C#N)C1.
What is the InChIKey of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is NBKICNGMRNRQCF-UWJYYQICSA-N. The full InChI is InChI=1S/C27H29N7O5/c1-17-16-39-25(15-36)34(17)12-19-8-18-4-3-6-33(26(18)30-22(19)14-35)27(37)31-24-9-23(20(10-28)11-29-24)32-7-5-21(13-32)38-2/h8-9,11,14,17,21H,3-7,12-13,16H2,1-2H3,(H,29,31,37)/t17-,21-/m0/s1.
What are the key properties of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 531.57 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(4S)-4-methyl-2-(oxomethylidene)-1,3-oxazolidin-3-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 137497203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).