N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide

C16H24N4O — CID 125435014

IUPACN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccn1C(C)C)c1nccn1C
InChIInChI=1S/C16H24N4O/c1-5-7-13(15-17-9-11-19(15)4)18-16(21)14-8-6-10-20(14)12(2)3/h6,8-13H,5,7H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyIGWRCVVXPXRTMV-CYBMUJFWSA-N
MW288.40 g/mol
LogP3.07
Rot. Bonds6

About N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide

N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 125435014) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID125435014
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1cccn1C(C)C)c1nccn1C
InChIInChI=1S/C16H24N4O/c1-5-7-13(15-17-9-11-19(15)4)18-16(21)14-8-6-10-20(14)12(2)3/h6,8-13H,5,7H2,1-4H3,(H,18,21)/t13-/m1/s1
InChIKeyIGWRCVVXPXRTMV-CYBMUJFWSA-N
XLogP3.07
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
3-cyano-N-[1-(1-methylimidazol-2-yl)butyl]benzamide
CID 56738213
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
5-ethyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 122571901
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
N-[1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72921720
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97206271
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
4-(6-methoxy-3-pyridinyl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]benzamide
CID 126427472
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125173578
2-cyclopropyl-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 126440228

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 125435014) is N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide is CCC[C@@H](NC(=O)c1cccn1C(C)C)c1nccn1C.
What is the InChIKey of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is IGWRCVVXPXRTMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-7-13(15-17-9-11-19(15)4)18-16(21)14-8-6-10-20(14)12(2)3/h6,8-13H,5,7H2,1-4H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide?
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 125435014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).