N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide

C24H26N4O — CID 112853044

IUPACN-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)N(C)c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O/c1-18-13-15-28(16-14-18)22-17-21(24(29)27(2)20-11-7-4-8-12-20)25-23(26-22)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3
InChIKeyCLKGMYHFBJIWBN-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.66
Rot. Bonds4

About N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide

N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide (PubChem CID 112853044) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
PubChem CID112853044
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)N(C)c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H26N4O/c1-18-13-15-28(16-14-18)22-17-21(24(29)27(2)20-11-7-4-8-12-20)25-23(26-22)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3
InChIKeyCLKGMYHFBJIWBN-UHFFFAOYSA-N
XLogP4.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide (CID 112853044) is N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide is CC1CCN(c2cc(C(=O)N(C)c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
The InChIKey is CLKGMYHFBJIWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-13-15-28(16-14-18)22-17-21(24(29)27(2)20-11-7-4-8-12-20)25-23(26-22)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide?
N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylpiperidin-1-yl)-N,2-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).