2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

C46H40N8O2 — CID 158029565

IUPAC2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1.Cc1nc2ncccc2cc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/2C23H20N4O/c2*1-15(17-7-9-18(10-8-17)20-6-3-11-24-14-20)27-23(28)21-13-19-5-4-12-25-22(19)26-16(21)2/h2*3-15H,1-2H3,(H,27,28)/t2*15-/m10/s1
InChIKeyFHABESJQXBKMJM-ZWZQDMJTSA-N
MW736.88 g/mol
LogP8.98
Rot. Bonds8

About 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide

2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 158029565) has the molecular formula C46H40N8O2 and a molecular weight of 736.88 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
PubChem CID158029565
Molecular FormulaC46H40N8O2
Molecular Weight736.88 g/mol
Exact Mass736.33
IUPAC Name2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1.Cc1nc2ncccc2cc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/2C23H20N4O/c2*1-15(17-7-9-18(10-8-17)20-6-3-11-24-14-20)27-23(28)21-13-19-5-4-12-25-22(19)26-16(21)2/h2*3-15H,1-2H3,(H,27,28)/t2*15-/m10/s1
InChIKeyFHABESJQXBKMJM-ZWZQDMJTSA-N
XLogP8.98
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 58.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
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CID 120704866
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
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N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
CID 165116197
1-prop-2-ynyl-3-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 96524118
1,3-dimethyl-N-(1-phenylethyl)-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 171315090
N-[1-(4-methoxyphenyl)ethyl]-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965475
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
3-methoxy-N-(1-pyridin-3-ylethyl)naphthalene-2-carboxamide
CID 18110339
1-(3-hydroxypropyl)-3-[1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 111619428
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide (CID 158029565) is 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1.Cc1nc2ncccc2cc1C(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is FHABESJQXBKMJM-ZWZQDMJTSA-N. The full InChI is InChI=1S/2C23H20N4O/c2*1-15(17-7-9-18(10-8-17)20-6-3-11-24-14-20)27-23(28)21-13-19-5-4-12-25-22(19)26-16(21)2/h2*3-15H,1-2H3,(H,27,28)/t2*15-/m10/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide?
2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 736.88 g/mol, XLogP of 8.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide;2-methyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158029565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).