4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

C19H24N4O — CID 46971543

IUPAC4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H24N4O/c1-15-18(12-20-14-22-15)19(24)21-11-16-6-5-7-17(10-16)13-23-8-3-2-4-9-23/h5-7,10,12,14H,2-4,8-9,11,13H2,1H3,(H,21,24)
InChIKeyHLDLXBZVBJDJCR-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.70
Rot. Bonds5

About 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide

4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (PubChem CID 46971543) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
PubChem CID46971543
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C19H24N4O/c1-15-18(12-20-14-22-15)19(24)21-11-16-6-5-7-17(10-16)13-23-8-3-2-4-9-23/h5-7,10,12,14H,2-4,8-9,11,13H2,1H3,(H,21,24)
InChIKeyHLDLXBZVBJDJCR-UHFFFAOYSA-N
XLogP2.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126788876
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099357
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126778035
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methyl-4-nitrobenzamide
CID 60616143
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
2-amino-4-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 91798076
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[[3-(azepan-1-ylmethyl)phenyl]methyl]-3-(4-methylphenyl)urea
CID 52797114
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-tert-butylsulfanylacetamide
CID 60604979
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51129061
2-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669979

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide (CID 46971543) is 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is Cc1ncncc1C(=O)NCc1cccc(CN2CCCCC2)c1.
What is the InChIKey of 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
The InChIKey is HLDLXBZVBJDJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-18(12-20-14-22-15)19(24)21-11-16-6-5-7-17(10-16)13-23-8-3-2-4-9-23/h5-7,10,12,14H,2-4,8-9,11,13H2,1H3,(H,21,24).
What are the key properties of 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide?
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46971543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).