N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

C15H16ClN5O — CID 175648718

IUPACN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Cl)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H16ClN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22)
InChIKeyUVDAQTYEKSZKBH-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.92
Rot. Bonds3

About N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175648718) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID175648718
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2ncc(Cl)cn2)CC1)c1cccnc1
InChIInChI=1S/C15H16ClN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22)
InChIKeyUVDAQTYEKSZKBH-UHFFFAOYSA-N
XLogP1.92
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648905
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175649555
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 53171326
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
N-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 3458992
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 175648718) is N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2ncc(Cl)cn2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is UVDAQTYEKSZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-9-18-15(19-10-12)21-6-3-13(4-7-21)20-14(22)11-2-1-5-17-8-11/h1-2,5,8-10,13H,3-4,6-7H2,(H,20,22).
What are the key properties of N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175648718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).