N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C25H25N5O2 — CID 172664117

IUPACN-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c1-19-10-13-30(17-21-9-6-11-26-15-21)25(32)23(19)24(31)28(2)18-22-27-12-14-29(22)16-20-7-4-3-5-8-20/h3-15H,16-18H2,1-2H3
InChIKeyDZJKQRUSKQJFHD-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.12
Rot. Bonds7

About N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172664117) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172664117
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N(C)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C25H25N5O2/c1-19-10-13-30(17-21-9-6-11-26-15-21)25(32)23(19)24(31)28(2)18-22-27-12-14-29(22)16-20-7-4-3-5-8-20/h3-15H,16-18H2,1-2H3
InChIKeyDZJKQRUSKQJFHD-UHFFFAOYSA-N
XLogP3.12
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-1-(2-methoxyphenyl)-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172657218
N-[(1-benzylimidazol-2-yl)methyl]-2-methoxy-N,6-dimethylbenzamide
CID 131901666
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661390
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 172673002
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172664117) is N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)N(C)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DZJKQRUSKQJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-19-10-13-30(17-21-9-6-11-26-15-21)25(32)23(19)24(31)28(2)18-22-27-12-14-29(22)16-20-7-4-3-5-8-20/h3-15H,16-18H2,1-2H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172664117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).