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

C20H24N4O2 — CID 147548956

IUPAC2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide
SMILESCNc1nc(N2CCC[C@@H](CC(=O)c3ccccc3)C2)ccc1C(N)=O
InChIInChI=1S/C20H24N4O2/c1-22-20-16(19(21)26)9-10-18(23-20)24-11-5-6-14(13-24)12-17(25)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H2,21,26)(H,22,23)/t14-/m0/s1
InChIKeyFQJVWNZZTIRRTC-AWEZNQCLSA-N
MW352.44 g/mol
LogP2.71
Rot. Bonds6

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

2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide (PubChem CID 147548956) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide
PubChem CID147548956
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide
SMILESCNc1nc(N2CCC[C@@H](CC(=O)c3ccccc3)C2)ccc1C(N)=O
InChIInChI=1S/C20H24N4O2/c1-22-20-16(19(21)26)9-10-18(23-20)24-11-5-6-14(13-24)12-17(25)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H2,21,26)(H,22,23)/t14-/m0/s1
InChIKeyFQJVWNZZTIRRTC-AWEZNQCLSA-N
XLogP2.71
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-anilino-5-[(3S)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 149359612
5-[(3R)-3-aminopiperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)amino]-5-[(3S)-3-phenacylpiperidin-1-yl]pyrazine-2-carboxamide
CID 158930475
5-[(3S)-3-[2-(3-methylphenyl)-2-oxoethyl]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
CID 157434916
6-(3-benzamidopiperidin-1-yl)-2-(4-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 66832621
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
methyl 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(2-phenylethylsulfanyl)-2-pyridinyl]piperidin-3-yl]acetate
CID 59830718
2-[(3S)-1-(8-bromoquinolin-2-yl)piperidin-3-yl]acetamide
CID 97079700
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
2-[1-[6-[2-(4-chlorophenyl)ethylamino]-5-(cyclohexylcarbamoyl)-2-pyridinyl]piperidin-3-yl]acetic acid
CID 71101569
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-[(2-methoxyphenyl)methoxy]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 162671602
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide (CID 147548956) is 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide is CNc1nc(N2CCC[C@@H](CC(=O)c3ccccc3)C2)ccc1C(N)=O.
What is the InChIKey of 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is FQJVWNZZTIRRTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-20-16(19(21)26)9-10-18(23-20)24-11-5-6-14(13-24)12-17(25)15-7-3-2-4-8-15/h2-4,7-10,14H,5-6,11-13H2,1H3,(H2,21,26)(H,22,23)/t14-/m0/s1.
What are the key properties of 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide?
2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-6-[(3S)-3-phenacylpiperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 147548956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).