4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

C19H24N4O — CID 66505324

IUPAC4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N3CCCCC3)nc2C)cc1
InChIInChI=1S/C19H24N4O/c1-14-6-8-16(9-7-14)12-20-18(24)17-13-21-19(22-15(17)2)23-10-4-3-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,24)
InChIKeySDFXDNIAAOGIGY-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide

4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 66505324) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID66505324
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(N3CCCCC3)nc2C)cc1
InChIInChI=1S/C19H24N4O/c1-14-6-8-16(9-7-14)12-20-18(24)17-13-21-19(22-15(17)2)23-10-4-3-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,24)
InChIKeySDFXDNIAAOGIGY-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 46345614
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
4-methyl-N-(3-methylbutyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 46345501
4-methyl-2-piperidin-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)pyrimidine-5-carboxamide
CID 163307452
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
4-methyl-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66505270
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
N-[[(2R)-1,4-dioxan-2-yl]methyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 125164960
4-methyl-N-[1-(methylcarbamoyl)cyclohexyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 118767481
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 66505324) is 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(N3CCCCC3)nc2C)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is SDFXDNIAAOGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-8-16(9-7-14)12-20-18(24)17-13-21-19(22-15(17)2)23-10-4-3-5-11-23/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,24).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide?
4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66505324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).