N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane

C24H25N5O2 — CID 157227610

IUPACN-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
SMILESC.Cc1ccc(C[C@@H](NC(=O)c2cccc3[nH]c(-c4ccncc4)nc23)C(N)=O)cc1
InChIInChI=1S/C23H21N5O2.CH4/c1-14-5-7-15(8-6-14)13-19(21(24)29)27-23(30)17-3-2-4-18-20(17)28-22(26-18)16-9-11-25-12-10-16;/h2-12,19H,13H2,1H3,(H2,24,29)(H,26,28)(H,27,30);1H4/t19-;/m1./s1
InChIKeyATSHXYCUZZRKGM-FSRHSHDFSA-N
MW415.50 g/mol
LogP3.40
Rot. Bonds6

About N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane

N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane (PubChem CID 157227610) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane.

Molecular Properties

Compound NameN-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
PubChem CID157227610
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
SMILESC.Cc1ccc(C[C@@H](NC(=O)c2cccc3[nH]c(-c4ccncc4)nc23)C(N)=O)cc1
InChIInChI=1S/C23H21N5O2.CH4/c1-14-5-7-15(8-6-14)13-19(21(24)29)27-23(30)17-3-2-4-18-20(17)28-22(26-18)16-9-11-25-12-10-16;/h2-12,19H,13H2,1H3,(H2,24,29)(H,26,28)(H,27,30);1H4/t19-;/m1./s1
InChIKeyATSHXYCUZZRKGM-FSRHSHDFSA-N
XLogP3.40
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 18685970
N-[(2R)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane
CID 158249650
N-[1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685990
N-(3,4-dihydropyridin-6-yl)-2-(4-ethylphenyl)-1H-benzimidazole-4-carboxamide
CID 90878232
2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 175537952
N-[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 174556565
N-[1-amino-4-(4-hydroxyphenyl)-1-oxobutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685998
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 58279096
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methyl-1-benzofuran-7-carboxamide
CID 77094303
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59880041

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane?
The IUPAC name of N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane (CID 157227610) is N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane.
What is the SMILES notation for N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane?
The canonical SMILES for N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane is C.Cc1ccc(C[C@@H](NC(=O)c2cccc3[nH]c(-c4ccncc4)nc23)C(N)=O)cc1.
What is the InChIKey of N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane?
The InChIKey is ATSHXYCUZZRKGM-FSRHSHDFSA-N. The full InChI is InChI=1S/C23H21N5O2.CH4/c1-14-5-7-15(8-6-14)13-19(21(24)29)27-23(30)17-3-2-4-18-20(17)28-22(26-18)16-9-11-25-12-10-16;/h2-12,19H,13H2,1H3,(H2,24,29)(H,26,28)(H,27,30);1H4/t19-;/m1./s1.
What are the key properties of N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane?
N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane has a molecular weight of 415.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide;methane is sourced from PubChem (CID 157227610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).