N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide

C20H26N4O2 — CID 118893228

IUPACN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1C=C(c2ccccc2)CCC1)C(=O)NCC#N
InChIInChI=1S/C20H26N4O2/c1-15(2)13-18(19(25)22-11-10-21)23-20(26)24-12-6-9-17(14-24)16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOIVZBTMMNZXTDI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.89
Rot. Bonds6

About N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide

N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide (PubChem CID 118893228) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
PubChem CID118893228
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide
SMILESCC(C)CC(NC(=O)N1C=C(c2ccccc2)CCC1)C(=O)NCC#N
InChIInChI=1S/C20H26N4O2/c1-15(2)13-18(19(25)22-11-10-21)23-20(26)24-12-6-9-17(14-24)16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9,11-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyOIVZBTMMNZXTDI-UHFFFAOYSA-N
XLogP2.89
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethylamino)-1-oxopentan-2-yl]-5-pyridin-3-yl-3,4-dihydro-2H-pyridine-1-carboxamide
CID 145020536
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 18186669
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-hydroxybenzamide
CID 18186637
(2S)-2-[[(1S)-1-(4-benzoylphenyl)-2,2,2-trifluoroethyl]amino]-N-(cyanomethyl)-4-methylpentanamide
CID 23648305
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(2-fluoro-5-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 118893152
N-(cyanomethyl)-2-formamido-4-methylpentanamide;5-(2-fluoro-5-methylphenyl)-1-methyl-3,4-dihydro-2H-pyridine
CID 145020504
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 18186666
N-(cyanomethyl)-4-methyl-2-phenylpentanamide
CID 173145638
4-amino-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 57003366
(2S)-N-(cyanomethyl)-4-methyl-2-[[2,2,2-trifluoro-1-[4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]phenyl]ethyl]amino]pentanamide
CID 87345176
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(2-methylpropanoyl)phenyl]ethyl]amino]pentanamide
CID 87345360
(2S)-N-(cyanomethyl)-2-[[(1S)-1-[4-(3,4-dimethoxyphenyl)phenyl]-2,2,2-trifluoroethyl]amino]-4-methylpentanamide
CID 10195359

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide (CID 118893228) is N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide is CC(C)CC(NC(=O)N1C=C(c2ccccc2)CCC1)C(=O)NCC#N.
What is the InChIKey of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is OIVZBTMMNZXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15(2)13-18(19(25)22-11-10-21)23-20(26)24-12-6-9-17(14-24)16-7-4-3-5-8-16/h3-5,7-8,14-15,18H,6,9,11-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide?
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-5-phenyl-3,4-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 118893228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).