1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide

C23H31N5O2 — CID 172661807

IUPAC1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide
SMILESCCCn1c(C)nc2cc(NC(=O)c3c(C)ccn(C(C)CN(C)C)c3=O)ccc21
InChIInChI=1S/C23H31N5O2/c1-7-11-28-17(4)24-19-13-18(8-9-20(19)28)25-22(29)21-15(2)10-12-27(23(21)30)16(3)14-26(5)6/h8-10,12-13,16H,7,11,14H2,1-6H3,(H,25,29)
InChIKeyOEXSYKFXSOFCSC-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.60
Rot. Bonds7

About 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide

1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide (PubChem CID 172661807) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide
PubChem CID172661807
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide
SMILESCCCn1c(C)nc2cc(NC(=O)c3c(C)ccn(C(C)CN(C)C)c3=O)ccc21
InChIInChI=1S/C23H31N5O2/c1-7-11-28-17(4)24-19-13-18(8-9-20(19)28)25-22(29)21-15(2)10-12-27(23(21)30)16(3)14-26(5)6/h8-10,12-13,16H,7,11,14H2,1-6H3,(H,25,29)
InChIKeyOEXSYKFXSOFCSC-UHFFFAOYSA-N
XLogP3.60
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxo-N-(4-pyridin-3-yloxyphenyl)pyridine-3-carboxamide
CID 172662023
2-(1,3-benzodioxol-5-yl)-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131951300
1-[1-(dimethylamino)propan-2-yl]-N-(8-fluoro-3-oxo-4H-1,4-benzoxazin-6-yl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660730
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-propylbenzimidazol-5-yl)acetamide
CID 131952394
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
dimethyl (E)-2-[(2-methyl-1-propylbenzimidazol-5-yl)amino]but-2-enedioate
CID 168570679
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
1-[1-(dimethylamino)propan-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172672420
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[1-[(4-chlorophenyl)methyl]cyclopropyl]-1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658972
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-[1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 75356988

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide (CID 172661807) is 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide is CCCn1c(C)nc2cc(NC(=O)c3c(C)ccn(C(C)CN(C)C)c3=O)ccc21.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is OEXSYKFXSOFCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-7-11-28-17(4)24-19-13-18(8-9-20(19)28)25-22(29)21-15(2)10-12-27(23(21)30)16(3)14-26(5)6/h8-10,12-13,16H,7,11,14H2,1-6H3,(H,25,29).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-4-methyl-N-(2-methyl-1-propylbenzimidazol-5-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).