6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C23H31N5O — CID 109333992

IUPAC6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)23-24-18(2)15-21(26-23)22(29)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,25,29)
InChIKeyOHYFXEHXTFVXIV-UHFFFAOYSA-N
MW393.54 g/mol
LogP4.26
Rot. Bonds4

About 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109333992) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109333992
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)23-24-18(2)15-21(26-23)22(29)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,25,29)
InChIKeyOHYFXEHXTFVXIV-UHFFFAOYSA-N
XLogP4.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(3-chlorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333957
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-(2-cyanophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334012
N-(2-methoxy-5-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333973
2-(azepan-1-yl)-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-4-carboxamide
CID 109334404
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334378
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109333992) is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is OHYFXEHXTFVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-7-6-14-28(16-17)23-24-18(2)15-21(26-23)22(29)25-19-8-10-20(11-9-19)27-12-4-3-5-13-27/h8-11,15,17H,3-7,12-14,16H2,1-2H3,(H,25,29).
What are the key properties of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 393.54 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 6-methyl-2-(3-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).