6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide

C18H22N4O — CID 109322331

IUPAC6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C18H22N4O/c1-13-7-6-8-15(11-13)20-17(23)16-12-14(2)19-18(21-16)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyPKMFMYJDKHAPHR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.34
Rot. Bonds3

About 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide

6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109322331) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID109322331
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)c1
InChIInChI=1S/C18H22N4O/c1-13-7-6-8-15(11-13)20-17(23)16-12-14(2)19-18(21-16)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23)
InChIKeyPKMFMYJDKHAPHR-UHFFFAOYSA-N
XLogP3.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
N-(2,6-diethylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322349
6-methyl-N-(4-phenoxyphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322398
1-(3-methylphenyl)-3-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352687
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-(4-chloro-2-methylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322360
2-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334377
6-methyl-2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109321669
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 109322331) is 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)c1.
What is the InChIKey of 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is PKMFMYJDKHAPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-6-8-15(11-13)20-17(23)16-12-14(2)19-18(21-16)22-9-4-3-5-10-22/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide?
6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylphenyl)-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).