N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide

C11H18N2O — CID 42930410

IUPACN-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C)n1C
InChIInChI=1S/C11H18N2O/c1-5-8(2)12-11(14)10-7-6-9(3)13(10)4/h6-8H,5H2,1-4H3,(H,12,14)
InChIKeyJDPODNNCUAUMOZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.86
Rot. Bonds3

About N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide

N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 42930410) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
PubChem CID42930410
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(C)n1C
InChIInChI=1S/C11H18N2O/c1-5-8(2)12-11(14)10-7-6-9(3)13(10)4/h6-8H,5H2,1-4H3,(H,12,14)
InChIKeyJDPODNNCUAUMOZ-UHFFFAOYSA-N
XLogP1.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63732838
N-butan-2-yl-5-fluoro-1-methylindole-2-carboxamide
CID 110848424
(3S)-3-[[(1,5-dimethylpyrrole-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65494915
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
CID 50847027
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071
N-[(4-fluorophenyl)-phenylmethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 112816610
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide (CID 42930410) is N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide is CCC(C)NC(=O)c1ccc(C)n1C.
What is the InChIKey of N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is JDPODNNCUAUMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-8(2)12-11(14)10-7-6-9(3)13(10)4/h6-8H,5H2,1-4H3,(H,12,14).
What are the key properties of N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide?
N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 42930410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).