N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

C18H22N6O2 — CID 95104419

IUPACN-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1
InChIInChI=1S/C18H22N6O2/c1-5-12(4)21-17(25)14-9-24(10-20-14)15-8-13(6-7-19-15)18-22-16(11(2)3)23-26-18/h6-12H,5H2,1-4H3,(H,21,25)/t12-/m0/s1
InChIKeyCVBSNFRNXGNNAR-LBPRGKRZSA-N
MW354.41 g/mol
LogP2.97
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide

N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 95104419) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
PubChem CID95104419
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC NameN-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
SMILESCC[C@H](C)NC(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1
InChIInChI=1S/C18H22N6O2/c1-5-12(4)21-17(25)14-9-24(10-20-14)15-8-13(6-7-19-15)18-22-16(11(2)3)23-26-18/h6-12H,5H2,1-4H3,(H,21,25)/t12-/m0/s1
InChIKeyCVBSNFRNXGNNAR-LBPRGKRZSA-N
XLogP2.97
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104418
N-[(4-ethylphenyl)methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489966
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-propan-2-ylimidazole-4-carboxamide
CID 53178659
N-cyclohexyl-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178762
N-[[(2S)-oxolan-2-yl]methyl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 95104422
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2S)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 95560087
[1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53178781
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 95104411
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490013
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95104412
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489865
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(4-propan-2-ylphenyl)methyl]imidazole-4-carboxamide
CID 53489878

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide (CID 95104419) is N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is CC[C@H](C)NC(=O)c1cn(-c2cc(-c3nc(C(C)C)no3)ccn2)cn1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is CVBSNFRNXGNNAR-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-5-12(4)21-17(25)14-9-24(10-20-14)15-8-13(6-7-19-15)18-22-16(11(2)3)23-26-18/h6-12H,5H2,1-4H3,(H,21,25)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide?
N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 95104419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).