3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide

C12H13N3O — CID 115160837

IUPAC3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
SMILESCNc1cccc(C(=O)Nc2cc[nH]c2)c1
InChIInChI=1S/C12H13N3O/c1-13-10-4-2-3-9(7-10)12(16)15-11-5-6-14-8-11/h2-8,13-14H,1H3,(H,15,16)
InChIKeyNLYCIWKCYMKPPC-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.31
Rot. Bonds3

About 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide

3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide (PubChem CID 115160837) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
PubChem CID115160837
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide
SMILESCNc1cccc(C(=O)Nc2cc[nH]c2)c1
InChIInChI=1S/C12H13N3O/c1-13-10-4-2-3-9(7-10)12(16)15-11-5-6-14-8-11/h2-8,13-14H,1H3,(H,15,16)
InChIKeyNLYCIWKCYMKPPC-UHFFFAOYSA-N
XLogP2.31
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-aminophenyl)-3-N-(1H-pyrrol-3-yl)benzene-1,3-dicarboxamide
CID 71483953
1-N,3-N-bis[3-(methylamino)phenyl]benzene-1,3-dicarboxamide;1-N,4-N-bis[4-(methylamino)phenyl]benzene-1,4-dicarboxamide
CID 158849064
3-(methylamino)benzamide
CID 18727714
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
3-(methylamino)-N-(2,3,4-trimethylphenyl)benzamide
CID 115160850
N-[3-fluoro-4-[2-fluoro-4-(methylamino)anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 139398477
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
ethane;3-(methylamino)benzamide
CID 142071023
3-(methylamino)benzoic acid;hydrochloride
CID 55250935
[3-(methylamino)phenyl]-phenylmethanone
CID 19894083
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
CID 94151705

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide?
The IUPAC name of 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide (CID 115160837) is 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide.
What is the SMILES notation for 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide?
The canonical SMILES for 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide is CNc1cccc(C(=O)Nc2cc[nH]c2)c1.
What is the InChIKey of 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide?
The InChIKey is NLYCIWKCYMKPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-10-4-2-3-9(7-10)12(16)15-11-5-6-14-8-11/h2-8,13-14H,1H3,(H,15,16).
What are the key properties of 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide?
3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide has a molecular weight of 215.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1H-pyrrol-3-yl)benzamide is sourced from PubChem (CID 115160837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).