3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C14H20ClN3O — CID 155530691

IUPAC3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ncccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-10(2)18-8-5-11(6-9-18)17-14(19)13-12(15)4-3-7-16-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeySYQLYIQSFMXTOA-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.34
Rot. Bonds3

About 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 155530691) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID155530691
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ncccc2Cl)CC1
InChIInChI=1S/C14H20ClN3O/c1-10(2)18-8-5-11(6-9-18)17-14(19)13-12(15)4-3-7-16-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeySYQLYIQSFMXTOA-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 155530691) is 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is CC(C)N1CCC(NC(=O)c2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is SYQLYIQSFMXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-10(2)18-8-5-11(6-9-18)17-14(19)13-12(15)4-3-7-16-13/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 155530691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).