1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide

C15H18ClN5O — CID 45275876

IUPAC1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C15H18ClN5O/c1-20-9-11(6-19-20)12-7-18-8-13(16)14(12)21-4-2-10(3-5-21)15(17)22/h6-10H,2-5H2,1H3,(H2,17,22)
InChIKeyJSXLKVAUGIWOOW-UHFFFAOYSA-N
MW319.80 g/mol
LogP1.84
Rot. Bonds3

About 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide

1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide (PubChem CID 45275876) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide
PubChem CID45275876
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide
SMILESCn1cc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1
InChIInChI=1S/C15H18ClN5O/c1-20-9-11(6-19-20)12-7-18-8-13(16)14(12)21-4-2-10(3-5-21)15(17)22/h6-10H,2-5H2,1H3,(H2,17,22)
InChIKeyJSXLKVAUGIWOOW-UHFFFAOYSA-N
XLogP1.84
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide (CID 45275876) is 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide is Cn1cc(-c2cncc(Cl)c2N2CCC(C(N)=O)CC2)cn1.
What is the InChIKey of 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide?
The InChIKey is JSXLKVAUGIWOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c1-20-9-11(6-19-20)12-7-18-8-13(16)14(12)21-4-2-10(3-5-21)15(17)22/h6-10H,2-5H2,1H3,(H2,17,22).
What are the key properties of 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide?
1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(1-methylpyrazol-4-yl)-4-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 45275876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).