N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C16H15N3O2 — CID 138042465

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc[nH]c(=O)c3)ccc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-6-13-7-11(2-3-14(13)19-10)9-18-16(21)12-4-5-17-15(20)8-12/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWVCWKKOVQQLFNS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.09
Rot. Bonds3

About N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 138042465) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID138042465
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc[nH]c(=O)c3)ccc2[nH]1
InChIInChI=1S/C16H15N3O2/c1-10-6-13-7-11(2-3-14(13)19-10)9-18-16(21)12-4-5-17-15(20)8-12/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWVCWKKOVQQLFNS-UHFFFAOYSA-N
XLogP2.09
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110425565
N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764055
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110666044

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 138042465) is N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is Cc1cc2cc(CNC(=O)c3cc[nH]c(=O)c3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is WVCWKKOVQQLFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-6-13-7-11(2-3-14(13)19-10)9-18-16(21)12-4-5-17-15(20)8-12/h2-8,19H,9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 138042465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).