1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide

C17H17N3O — CID 177323281

IUPAC1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc3ncccc23)n1C
InChIInChI=1S/C17H17N3O/c1-12-8-9-16(20(12)2)17(21)19-11-13-5-3-7-15-14(13)6-4-10-18-15/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyBACGHLOPWXAOAL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds3

About 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide

1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide (PubChem CID 177323281) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
PubChem CID177323281
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cccc3ncccc23)n1C
InChIInChI=1S/C17H17N3O/c1-12-8-9-16(20(12)2)17(21)19-11-13-5-3-7-15-14(13)6-4-10-18-15/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyBACGHLOPWXAOAL-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R,4R)-3-fluoro-4-methylpyrrolidin-1-yl]sulfonyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323320
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
4-[(3Z)-4-amino-3-(aminomethylidene)piperazin-1-yl]sulfanyl-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323520
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
4-[[(8S)-8-hydroxy-5-azaspiro[2.5]octan-5-yl]sulfonyl]-1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323247
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 56751942
1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
CID 71929440
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
ethane;N-methyl-1-quinolin-5-ylmethanamine
CID 163296401
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
ethane;5-ethylquinoline
CID 143401043

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide (CID 177323281) is 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide is Cc1ccc(C(=O)NCc2cccc3ncccc23)n1C.
What is the InChIKey of 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is BACGHLOPWXAOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-8-9-16(20(12)2)17(21)19-11-13-5-3-7-15-14(13)6-4-10-18-15/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide?
1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 177323281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).