N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

C17H18F2N4O — CID 109355141

IUPACN-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)C1
InChIInChI=1S/C17H18F2N4O/c1-11-3-2-6-23(9-11)16-8-15(20-10-21-16)17(24)22-12-4-5-13(18)14(19)7-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyOLBZJVDYNCKLAE-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.24
Rot. Bonds3

About N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide

N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109355141) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID109355141
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC NameN-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
SMILESCC1CCCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)C1
InChIInChI=1S/C17H18F2N4O/c1-11-3-2-6-23(9-11)16-8-15(20-10-21-16)17(24)22-12-4-5-13(18)14(19)7-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,24)
InChIKeyOLBZJVDYNCKLAE-UHFFFAOYSA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355075
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-(3,4-difluorophenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196527
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
6-(4-acetylpiperazin-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109345988
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(4-fluorophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342239
6-(3-methylpiperidin-1-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340461
(4-methylpiperidin-1-yl)-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]methanone
CID 109342388
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide (CID 109355141) is N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is CC1CCCN(c2cc(C(=O)Nc3ccc(F)c(F)c3)ncn2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is OLBZJVDYNCKLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-11-3-2-6-23(9-11)16-8-15(20-10-21-16)17(24)22-12-4-5-13(18)14(19)7-12/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide?
N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).