5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

C11H15ClN4O — CID 141318308

IUPAC5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1
InChIInChI=1S/C11H15ClN4O/c1-7-6-16(3-2-14-7)11-9(12)4-8(5-15-11)10(13)17/h4-5,7,14H,2-3,6H2,1H3,(H2,13,17)/t7-/m1/s1
InChIKeyHAGABIUGBCSPQX-SSDOTTSWSA-N
MW254.72 g/mol
LogP0.63
Rot. Bonds2

About 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide

5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 141318308) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID141318308
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1
InChIInChI=1S/C11H15ClN4O/c1-7-6-16(3-2-14-7)11-9(12)4-8(5-15-11)10(13)17/h4-5,7,14H,2-3,6H2,1H3,(H2,13,17)/t7-/m1/s1
InChIKeyHAGABIUGBCSPQX-SSDOTTSWSA-N
XLogP0.63
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(3-methylpiperazin-1-yl)benzamide
CID 65449432
methyl 5-chloro-6-[(3S)-3-ethylpiperazin-1-yl]pyridine-3-carboxylate
CID 59772633
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
5-chloro-6-[4-(3-methylbutyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133380757
5-chloro-6-(3-ethylsulfanylazepan-1-yl)pyridine-3-carboxamide
CID 133311263
5-chloro-6-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 71978493
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262
5-chloro-6-(3,4-dimethylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 55216040
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
5-chloro-6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133499734
5-chloro-6-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]pyridine-3-carboxamide
CID 95584099
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-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide (CID 141318308) is 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)CCN1.
What is the InChIKey of 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is HAGABIUGBCSPQX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-7-6-16(3-2-14-7)11-9(12)4-8(5-15-11)10(13)17/h4-5,7,14H,2-3,6H2,1H3,(H2,13,17)/t7-/m1/s1.
What are the key properties of 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3R)-3-methylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 141318308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).