N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide

C26H27N5O2 — CID 53250073

IUPACN-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc2ncccc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C26H27N5O2/c1-30-17-7-11-23(30)25(32)29-15-12-20(18-19-8-4-3-5-9-19)31(2)26(33)22-13-16-28-24-21(22)10-6-14-27-24/h3-11,13-14,16-17,20H,12,15,18H2,1-2H3,(H,29,32)
InChIKeyGWFVRFIXGBQGMY-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.47
Rot. Bonds8

About N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide

N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide (PubChem CID 53250073) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
PubChem CID53250073
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc2ncccc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1
InChIInChI=1S/C26H27N5O2/c1-30-17-7-11-23(30)25(32)29-15-12-20(18-19-8-4-3-5-9-19)31(2)26(33)22-13-16-28-24-21(22)10-6-14-27-24/h3-11,13-14,16-17,20H,12,15,18H2,1-2H3,(H,29,32)
InChIKeyGWFVRFIXGBQGMY-UHFFFAOYSA-N
XLogP3.47
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2,5-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 67260802
N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
CID 67262265
N,2,4-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67262252
N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247486
N,2-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,6-naphthyridine-3-carboxamide
CID 67261697
3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 67261664
N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide
CID 77254056
7-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]isoquinoline-4-carboxamide
CID 67247091
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
6-methoxy-N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247731
N-[3-[(3-imidazol-1-ylbenzoyl)-methylamino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 67246740

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide (CID 53250073) is N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide is CN(C(=O)c1ccnc2ncccc12)C(CCNC(=O)c1cccn1C)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide?
The InChIKey is GWFVRFIXGBQGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-30-17-7-11-23(30)25(32)29-15-12-20(18-19-8-4-3-5-9-19)31(2)26(33)22-13-16-28-24-21(22)10-6-14-27-24/h3-11,13-14,16-17,20H,12,15,18H2,1-2H3,(H,29,32).
What are the key properties of N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide?
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 53250073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).