3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide

C16H19ClN6O2 — CID 143263434

IUPAC3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide
SMILESCc1cncc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChIInChI=1S/C16H19ClN6O2/c1-9-6-19-7-11(17)13(9)15(24)22-12-8-20-23-14(12)16(25)21-10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeySBFVKSAXKMXJSH-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.50
Rot. Bonds4

About 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide

3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide (PubChem CID 143263434) has the molecular formula C16H19ClN6O2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide
PubChem CID143263434
Molecular FormulaC16H19ClN6O2
Molecular Weight362.82 g/mol
Exact Mass362.13
IUPAC Name3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide
SMILESCc1cncc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
InChIInChI=1S/C16H19ClN6O2/c1-9-6-19-7-11(17)13(9)15(24)22-12-8-20-23-14(12)16(25)21-10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeySBFVKSAXKMXJSH-UHFFFAOYSA-N
XLogP1.50
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide (CID 143263434) is 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide is Cc1cncc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1.
What is the InChIKey of 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide?
The InChIKey is SBFVKSAXKMXJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O2/c1-9-6-19-7-11(17)13(9)15(24)22-12-8-20-23-14(12)16(25)21-10-2-4-18-5-3-10/h6-8,10,18H,2-5H2,1H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide?
3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-[5-(piperidin-4-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 143263434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).