N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide

C23H23N5O2 — CID 134811025

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)ncn3C)ccn1
InChIInChI=1S/C23H23N5O2/c1-13-7-15(3)27-23(30)19(13)11-25-22(29)18-9-17(16-5-6-24-14(2)8-16)10-20-21(18)28(4)12-26-20/h5-10,12H,11H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyHCHDNVNTTFAXIB-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.18
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide (PubChem CID 134811025) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide
PubChem CID134811025
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)ncn3C)ccn1
InChIInChI=1S/C23H23N5O2/c1-13-7-15(3)27-23(30)19(13)11-25-22(29)18-9-17(16-5-6-24-14(2)8-16)10-20-21(18)28(4)12-26-20/h5-10,12H,11H2,1-4H3,(H,25,29)(H,27,30)
InChIKeyHCHDNVNTTFAXIB-UHFFFAOYSA-N
XLogP3.18
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-(2-methylpyrimidin-5-yl)-3-propan-2-ylindole-7-carboxamide
CID 67816378
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622213
6-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-ylindole-4-carboxamide
CID 67466111
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614902
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 41416693
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-1-propan-2-yl-6-(6-pyrrolidin-1-yl-3-pyridinyl)indole-4-carboxamide
CID 54670447
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide
CID 146604560
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-(2-methylsulfonylpyrimidin-5-yl)benzamide
CID 118270649
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide;prop-2-enamide
CID 175099215
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-6-(2-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 134810424
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18119515

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide (CID 134811025) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide is Cc1cc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(c2)ncn3C)ccn1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide?
The InChIKey is HCHDNVNTTFAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-13-7-15(3)27-23(30)19(13)11-25-22(29)18-9-17(16-5-6-24-14(2)8-16)10-20-21(18)28(4)12-26-20/h5-10,12H,11H2,1-4H3,(H,25,29)(H,27,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(2-methyl-4-pyridinyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 134811025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).