N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide

C23H21N5O — CID 112852927

IUPACN-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H21N5O/c24-16-17-8-7-11-19(14-17)25-23(29)20-15-21(28-12-5-2-6-13-28)27-22(26-20)18-9-3-1-4-10-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,29)
InChIKeyNGGUQMKTUBFCMA-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.26
Rot. Bonds4

About N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 112852927) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID112852927
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H21N5O/c24-16-17-8-7-11-19(14-17)25-23(29)20-15-21(28-12-5-2-6-13-28)27-22(26-20)18-9-3-1-4-10-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,29)
InChIKeyNGGUQMKTUBFCMA-UHFFFAOYSA-N
XLogP4.26
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-acetylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852692
3-[(2-phenyl-6-piperidin-1-ylpyrimidin-4-yl)amino]benzonitrile
CID 112880150
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
N-(2-methylphenyl)-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852671
6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
CID 112853043
3-[[6-(4-acetylpiperazin-1-yl)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881144
3-[[2-phenyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 112852979
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-cyanophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853183
N-(4-cyanophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362875

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 112852927) is N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide is N#Cc1cccc(NC(=O)c2cc(N3CCCCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is NGGUQMKTUBFCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c24-16-17-8-7-11-19(14-17)25-23(29)20-15-21(28-12-5-2-6-13-28)27-22(26-20)18-9-3-1-4-10-18/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,25,29).
What are the key properties of N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 112852927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).