3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide

C13H18ClN3O2 — CID 134434697

IUPAC3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCC(CO)(NC(=O)c2ncccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyPDTWZQJWDXCBNN-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.92
Rot. Bonds3

About 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide

3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134434697) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134434697
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCC(CO)(NC(=O)c2ncccc2Cl)CC1
InChIInChI=1S/C13H18ClN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyPDTWZQJWDXCBNN-UHFFFAOYSA-N
XLogP0.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134434697) is 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide is CN1CCC(CO)(NC(=O)c2ncccc2Cl)CC1.
What is the InChIKey of 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is PDTWZQJWDXCBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134434697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).