4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide

C15H18N4O2 — CID 126828105

IUPAC4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCCC(=O)Nc1ncccc1C
InChIInChI=1S/C15H18N4O2/c1-10-4-3-6-17-14(10)19-13(20)5-7-18-15(21)12-9-16-8-11(12)2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyFGVIZJYFQFKTKZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.79
Rot. Bonds5

About 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide

4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide (PubChem CID 126828105) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
PubChem CID126828105
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
SMILESCc1c[nH]cc1C(=O)NCCC(=O)Nc1ncccc1C
InChIInChI=1S/C15H18N4O2/c1-10-4-3-6-17-14(10)19-13(20)5-7-18-15(21)12-9-16-8-11(12)2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyFGVIZJYFQFKTKZ-UHFFFAOYSA-N
XLogP1.79
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
CID 126828106
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide (CID 126828105) is 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide is Cc1c[nH]cc1C(=O)NCCC(=O)Nc1ncccc1C.
What is the InChIKey of 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FGVIZJYFQFKTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-4-3-6-17-14(10)19-13(20)5-7-18-15(21)12-9-16-8-11(12)2/h3-4,6,8-9,16H,5,7H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide?
4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126828105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).