N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide

C11H18N2O — CID 110766106

IUPACN-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-5-7(2)13-11(14)10-6-8(3)12-9(10)4/h6-7,12H,5H2,1-4H3,(H,13,14)
InChIKeyRYFUBNBIGAQULF-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.16
Rot. Bonds3

About N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide

N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 110766106) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID110766106
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
SMILESCCC(C)NC(=O)c1cc(C)[nH]c1C
InChIInChI=1S/C11H18N2O/c1-5-7(2)13-11(14)10-6-8(3)12-9(10)4/h6-7,12H,5H2,1-4H3,(H,13,14)
InChIKeyRYFUBNBIGAQULF-UHFFFAOYSA-N
XLogP2.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-N-propan-2-yl-1H-pyrrole-3-carboxamide
CID 110766101
N-butan-2-yl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698591
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 130609460
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-butan-2-yl-8-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 53016620
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-butan-2-yl-5-chloro-2-oxo-1H-pyridine-3-carboxamide
CID 110848497
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 31119569

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide (CID 110766106) is N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide is CCC(C)NC(=O)c1cc(C)[nH]c1C.
What is the InChIKey of N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is RYFUBNBIGAQULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-7(2)13-11(14)10-6-8(3)12-9(10)4/h6-7,12H,5H2,1-4H3,(H,13,14).
What are the key properties of N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide?
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 194.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110766106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).