N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide

C24H28N6O4 — CID 155444859

IUPACN-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2CC[C@@H](O)[C@H](C)CO)cc(-c2c[nH]n(C)c2=O)n1
InChIInChI=1S/C24H28N6O4/c1-14(13-31)21(32)8-9-30-20-7-5-4-6-18(20)27-24(30)28-22(33)16-10-15(2)26-19(11-16)17-12-25-29(3)23(17)34/h4-7,10-12,14,21,25,31-32H,8-9,13H2,1-3H3,(H,27,28,33)/t14-,21-/m1/s1
InChIKeyQTJJHQPWVPJWEP-SPLOXXLWSA-N
MW464.53 g/mol
LogP2.07
Rot. Bonds8

About N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide

N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 155444859) has the molecular formula C24H28N6O4 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
PubChem CID155444859
Molecular FormulaC24H28N6O4
Molecular Weight464.53 g/mol
Exact Mass464.22
IUPAC NameN-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3n2CC[C@@H](O)[C@H](C)CO)cc(-c2c[nH]n(C)c2=O)n1
InChIInChI=1S/C24H28N6O4/c1-14(13-31)21(32)8-9-30-20-7-5-4-6-18(20)27-24(30)28-22(33)16-10-15(2)26-19(11-16)17-12-25-29(3)23(17)34/h4-7,10-12,14,21,25,31-32H,8-9,13H2,1-3H3,(H,27,28,33)/t14-,21-/m1/s1
InChIKeyQTJJHQPWVPJWEP-SPLOXXLWSA-N
XLogP2.07
TPSA138.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 155444815
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
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N-(1-octylbenzimidazol-2-yl)benzamide
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methyl 3-[2-[(3-aminobenzoyl)amino]benzimidazol-1-yl]propanoate
CID 68792716
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923
4-chloro-3-(methylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 24628743
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
CID 4044810
1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
N-(1-ethylbenzimidazol-2-yl)-3,4,5-trimethoxybenzamide
CID 17417130
N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-(2-methoxyphenyl)pyridine-4-carboxamide
CID 139447834

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide (CID 155444859) is N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3n2CC[C@@H](O)[C@H](C)CO)cc(-c2c[nH]n(C)c2=O)n1.
What is the InChIKey of N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is QTJJHQPWVPJWEP-SPLOXXLWSA-N. The full InChI is InChI=1S/C24H28N6O4/c1-14(13-31)21(32)8-9-30-20-7-5-4-6-18(20)27-24(30)28-22(33)16-10-15(2)26-19(11-16)17-12-25-29(3)23(17)34/h4-7,10-12,14,21,25,31-32H,8-9,13H2,1-3H3,(H,27,28,33)/t14-,21-/m1/s1.
What are the key properties of N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 2.07, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3R,4R)-3,5-dihydroxy-4-methylpentyl]benzimidazol-2-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155444859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).