N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C17H24N4O2 — CID 172664011

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H24N4O2/c1-12(2)5-8-21-9-6-13(3)15(17(21)23)16(22)19-7-4-14-10-18-11-20-14/h6,9-12H,4-5,7-8H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyDKFHPHGICGRUNR-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172664011) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172664011
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H24N4O2/c1-12(2)5-8-21-9-6-13(3)15(17(21)23)16(22)19-7-4-14-10-18-11-20-14/h6,9-12H,4-5,7-8H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyDKFHPHGICGRUNR-UHFFFAOYSA-N
XLogP1.90
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172666099
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172660059
4-methyl-1-(3-methylbutyl)-N-(5-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 172669432
1-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 65231356
4-methyl-1-(3-methylbutyl)-N-(1-methylimidazol-2-yl)-2-oxopyridine-3-carboxamide
CID 172655426
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609933
N-[2-(1H-imidazol-5-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 65231406
N-(2-hydroxy-6-methylphenyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172665336
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
4-methyl-N-(2-methylsulfanylethyl)-2-oxo-1-(2-phenylethyl)pyridine-3-carboxamide
CID 172665741
4-methyl-1-(3-methylbutyl)-2-oxo-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 172671667
N-[3-(hydroxymethyl)-2-methylphenyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172671237

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172664011) is N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is DKFHPHGICGRUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)5-8-21-9-6-13(3)15(17(21)23)16(22)19-7-4-14-10-18-11-20-14/h6,9-12H,4-5,7-8H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).