4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

C19H21N5O — CID 122318242

IUPAC4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H21N5O/c1-14-11-18(24-9-3-2-4-10-24)23-17(22-14)13-21-19(25)16-7-5-15(12-20)6-8-16/h5-8,11H,2-4,9-10,13H2,1H3,(H,21,25)
InChIKeyPSYWTZURBYOXPD-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.58
Rot. Bonds4

About 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide

4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 122318242) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID122318242
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESCc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H21N5O/c1-14-11-18(24-9-3-2-4-10-24)23-17(22-14)13-21-19(25)16-7-5-15(12-20)6-8-16/h5-8,11H,2-4,9-10,13H2,1H3,(H,21,25)
InChIKeyPSYWTZURBYOXPD-UHFFFAOYSA-N
XLogP2.58
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318023
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]naphthalene-2-carboxamide
CID 122318067
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318097
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3,5-dinitrobenzamide
CID 122318432
3-fluoro-4-methoxy-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122317873
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122317863
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122318073
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
2,3,4-trifluoro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318276
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 71807389

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 122318242) is 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is Cc1cc(N2CCCCC2)nc(CNC(=O)c2ccc(C#N)cc2)n1.
What is the InChIKey of 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is PSYWTZURBYOXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-11-18(24-9-3-2-4-10-24)23-17(22-14)13-21-19(25)16-7-5-15(12-20)6-8-16/h5-8,11H,2-4,9-10,13H2,1H3,(H,21,25).
What are the key properties of 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide?
4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 122318242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).