N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide

C16H21N5O2 — CID 53156915

IUPACN-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)NCC(C)C)c2)nc1
InChIInChI=1S/C16H21N5O2/c1-4-15(22)20-12-5-6-14(17-8-12)21-9-13(19-10-21)16(23)18-7-11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyBPTCRTQNSHOKMX-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.00
Rot. Bonds6

About N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide

N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 53156915) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID53156915
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
SMILESCCC(=O)Nc1ccc(-n2cnc(C(=O)NCC(C)C)c2)nc1
InChIInChI=1S/C16H21N5O2/c1-4-15(22)20-12-5-6-14(17-8-12)21-9-13(19-10-21)16(23)18-7-11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,23)(H,20,22)
InChIKeyBPTCRTQNSHOKMX-UHFFFAOYSA-N
XLogP2.00
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 95099085
N-[(4-chlorophenyl)methyl]-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 50847310
N-cyclopropyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53156985
N-[6-[4-(3,5-dimethylpiperidine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156927
1-[5-(3-methylbutanoylamino)-2-pyridinyl]-N-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxamide
CID 92901163
3-methyl-N-[6-[4-(morpholine-4-carbonyl)imidazol-1-yl]-3-pyridinyl]butanamide
CID 53156987
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)imidazole-4-carboxamide
CID 53178866
1-(5-acetamido-2-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4-carboxamide
CID 95099061
N-cycloheptyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53157027
N-[6-[4-(4-benzylpiperazine-1-carbonyl)imidazol-1-yl]-3-pyridinyl]-2-methylpropanamide
CID 53156979
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 50842295

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide (CID 53156915) is N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide is CCC(=O)Nc1ccc(-n2cnc(C(=O)NCC(C)C)c2)nc1.
What is the InChIKey of N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is BPTCRTQNSHOKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-15(22)20-12-5-6-14(17-8-12)21-9-13(19-10-21)16(23)18-7-11(2)3/h5-6,8-11H,4,7H2,1-3H3,(H,18,23)(H,20,22).
What are the key properties of N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide?
N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[5-(propanoylamino)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 53156915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).