[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C21H22N6O — CID 95821107

IUPAC[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1
InChIInChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)26-20-13-23-12-18(25-20)17-7-4-10-27(14-17)21(28)16-6-3-9-22-11-16/h2-3,5-6,8-9,11-13,17H,4,7,10,14H2,1H3,(H,24,25,26)/t17-/m0/s1
InChIKeySSJMVOSGDJTTSY-KRWDZBQOSA-N
MW374.45 g/mol
LogP3.34
Rot. Bonds4

About [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95821107) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95821107
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1
InChIInChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)26-20-13-23-12-18(25-20)17-7-4-10-27(14-17)21(28)16-6-3-9-22-11-16/h2-3,5-6,8-9,11-13,17H,4,7,10,14H2,1H3,(H,24,25,26)/t17-/m0/s1
InChIKeySSJMVOSGDJTTSY-KRWDZBQOSA-N
XLogP3.34
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110255878
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814602
2-(dimethylamino)-1-[3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252918
[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]methanone
CID 110094322
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95821107) is [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1cccc(Nc2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1.
What is the InChIKey of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is SSJMVOSGDJTTSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-5-2-8-19(24-15)26-20-13-23-12-18(25-20)17-7-4-10-27(14-17)21(28)16-6-3-9-22-11-16/h2-3,5-6,8-9,11-13,17H,4,7,10,14H2,1H3,(H,24,25,26)/t17-/m0/s1.
What are the key properties of [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 374.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[6-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).