2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile

C24H31N7O2 — CID 58387007

IUPAC2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCN1CC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(N3CCC(C)(C)CC3)n2)CN(C)C1=O
InChIInChI=1S/C24H31N7O2/c1-24(2)7-9-31(10-8-24)22-16(11-20(32)21-26-13-18(12-25)27-21)5-6-19(28-22)17-14-29(3)23(33)30(4)15-17/h5-6,13,17H,7-11,14-15H2,1-4H3,(H,26,27)
InChIKeyQMDDTTGBCYTYDK-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile

2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile (PubChem CID 58387007) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
PubChem CID58387007
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC Name2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCN1CC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(N3CCC(C)(C)CC3)n2)CN(C)C1=O
InChIInChI=1S/C24H31N7O2/c1-24(2)7-9-31(10-8-24)22-16(11-20(32)21-26-13-18(12-25)27-21)5-6-19(28-22)17-14-29(3)23(33)30(4)15-17/h5-6,13,17H,7-11,14-15H2,1-4H3,(H,26,27)
InChIKeyQMDDTTGBCYTYDK-UHFFFAOYSA-N
XLogP2.81
TPSA109.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile with MolForge

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Related Compounds

Edicotinib
CID 25230468
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3,3-dimethyl-pyrrolidine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760760
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
4-cyano-N-(4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
CID 24783357
CID 147338912
CID 147338912
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506638
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506671
(2S)-N-[(1S)-1-[4-cyano-2-(4-pyridin-3-ylphenyl)-1H-imidazol-5-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162647783
1-butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione;dihydrochloride
CID 10187991
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11627368
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-2-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11627369
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-pyridin-2-ylpiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
CID 11642625

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile (CID 58387007) is 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile is CN1CC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(N3CCC(C)(C)CC3)n2)CN(C)C1=O.
What is the InChIKey of 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
The InChIKey is QMDDTTGBCYTYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-24(2)7-9-31(10-8-24)22-16(11-20(32)21-26-13-18(12-25)27-21)5-6-19(28-22)17-14-29(3)23(33)30(4)15-17/h5-6,13,17H,7-11,14-15H2,1-4H3,(H,26,27).
What are the key properties of 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile?
2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile has a molecular weight of 449.56 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(1,3-dimethyl-2-oxo-1,3-diazinan-5-yl)-2-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]acetyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 58387007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).