6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide

C11H16N4O — CID 104977483

IUPAC6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2cccc(C(N)=O)n2)CCN1
InChIInChI=1S/C11H16N4O/c1-8-7-15(6-5-13-8)10-4-2-3-9(14-10)11(12)16/h2-4,8,13H,5-7H2,1H3,(H2,12,16)/t8-/m0/s1
InChIKeyAQTMTYQRAIHZFR-QMMMGPOBSA-N
MW220.28 g/mol
LogP-0.02
Rot. Bonds2

About 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide

6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 104977483) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
PubChem CID104977483
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESC[C@H]1CN(c2cccc(C(N)=O)n2)CCN1
InChIInChI=1S/C11H16N4O/c1-8-7-15(6-5-13-8)10-4-2-3-9(14-10)11(12)16/h2-4,8,13H,5-7H2,1H3,(H2,12,16)/t8-/m0/s1
InChIKeyAQTMTYQRAIHZFR-QMMMGPOBSA-N
XLogP-0.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
CID 66197754
1-(6-bromo-2-pyridinyl)-3-methylpiperazine;hydrochloride
CID 71639395
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]pyridine-2-carboxamide
CID 173075471
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
3-[(3S)-3-methylpiperazin-1-yl]pyridazine
CID 94453251
(3S)-1-(6-ethoxy-2-pyridinyl)-3-methylpiperazine
CID 104977568
1-(6-carbamoyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742498
2-methyl-6-(3-methylpiperazin-1-yl)pyridin-3-amine
CID 174591427
6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 62254825
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide (CID 104977483) is 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide is C[C@H]1CN(c2cccc(C(N)=O)n2)CCN1.
What is the InChIKey of 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is AQTMTYQRAIHZFR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-7-15(6-5-13-8)10-4-2-3-9(14-10)11(12)16/h2-4,8,13H,5-7H2,1H3,(H2,12,16)/t8-/m0/s1.
What are the key properties of 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide?
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 104977483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).