5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide

C13H19ClN4O2 — CID 133499734

IUPAC5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN4O2/c1-9(19)8-17-2-4-18(5-3-17)13-11(14)6-10(7-16-13)12(15)20/h6-7,9,19H,2-5,8H2,1H3,(H2,15,20)/t9-/m1/s1
InChIKeyURUOMQJNRCZSKR-SECBINFHSA-N
MW298.77 g/mol
LogP0.34
Rot. Bonds4

About 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133499734) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133499734
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN4O2/c1-9(19)8-17-2-4-18(5-3-17)13-11(14)6-10(7-16-13)12(15)20/h6-7,9,19H,2-5,8H2,1H3,(H2,15,20)/t9-/m1/s1
InChIKeyURUOMQJNRCZSKR-SECBINFHSA-N
XLogP0.34
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[4-(2-methylpropyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 62775906
5-chloro-6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133294854
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
4-[3-chloro-5-(2-hydroxypropylcarbamoyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 68916173
5-chloro-6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133293875
5-chloro-6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 43592266
3-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 60871429
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
CID 141318308
4-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-2-carboxamide
CID 133499674
5-chloro-6-[4-[2-(3-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133324791
5-chloro-6-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]pyridine-3-carboxamide
CID 56816116
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide (CID 133499734) is 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide is C[C@@H](O)CN1CCN(c2ncc(C(N)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is URUOMQJNRCZSKR-SECBINFHSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-9(19)8-17-2-4-18(5-3-17)13-11(14)6-10(7-16-13)12(15)20/h6-7,9,19H,2-5,8H2,1H3,(H2,15,20)/t9-/m1/s1.
What are the key properties of 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 298.77 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133499734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).