N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

C16H16Cl2N4O — CID 109250257

IUPACN-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C16H16Cl2N4O/c17-13-5-4-12(8-14(13)18)21-15(23)11-9-19-16(20-10-11)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,21,23)
InChIKeyZDMRYFBWGBKOIC-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.03
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide

N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 109250257) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID109250257
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC NameN-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCCC2)nc1
InChIInChI=1S/C16H16Cl2N4O/c17-13-5-4-12(8-14(13)18)21-15(23)11-9-19-16(20-10-11)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,21,23)
InChIKeyZDMRYFBWGBKOIC-UHFFFAOYSA-N
XLogP4.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
2-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109265005
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249509
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
2-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109265024
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 109250257) is N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnc(N2CCCCC2)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is ZDMRYFBWGBKOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c17-13-5-4-12(8-14(13)18)21-15(23)11-9-19-16(20-10-11)22-6-2-1-3-7-22/h4-5,8-10H,1-3,6-7H2,(H,21,23).
What are the key properties of N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide?
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 351.24 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 109250257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).