[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

C20H25N3O2 — CID 164637791

IUPAC[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1
InChIInChI=1S/C20H25N3O2/c1-14-6-11-19(24)18(22-14)13-21-17-9-7-16(8-10-17)20(25)23-12-4-3-5-15(23)2/h6-11,15,21,24H,3-5,12-13H2,1-2H3/t15-/m0/s1
InChIKeyFTPOGMHOHUYPNO-HNNXBMFYSA-N
MW339.44 g/mol
LogP3.72
Rot. Bonds4

About [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone

[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (PubChem CID 164637791) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
PubChem CID164637791
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1
InChIInChI=1S/C20H25N3O2/c1-14-6-11-19(24)18(22-14)13-21-17-9-7-16(8-10-17)20(25)23-12-4-3-5-15(23)2/h6-11,15,21,24H,3-5,12-13H2,1-2H3/t15-/m0/s1
InChIKeyFTPOGMHOHUYPNO-HNNXBMFYSA-N
XLogP3.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

N-[(1-butylpiperidin-4-yl)methyl]-8-hydroxyquinoline-2-carboxamide
CID 139188853
N-[(4-aminophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide
CID 74539854
[(1-Benzyl-5-hydroxy-8-methyl-2-oxo-3-phenyl-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 68297327
[(1-Benzyl-5-hydroxy-3,8-dimethyl-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 68297740
2-[[6-[4-(Dimethylcarbamoyl)anilino]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 168298634
2-Pyridinecarboxamide,3-hydroxy-n-(4-methylphenyl)-
CID 5274874
[(1,3-Dibenzyl-5-hydroxy-8-methyl-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 60152912
[(1-Benzyl-5-hydroxy-8-methyl-2-oxo-1,2,3,4-tetrahydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 68297354
6-Methyl-2-[[3-[(4-methylpiperazin-1-yl)methyl]anilino]methyl]pyridin-3-ol
CID 71982523
N-[4-(aminomethyl)phenyl]-3-hydroxypyridine-2-carboxamide;hydrochloride
CID 164624480
2-[[3-Hydroxy-5-[1-[2-(4-methylanilino)acetyl]piperidin-4-yl]pyridine-2-carbonyl]amino]acetic acid
CID 172459619
3-[(1-Benzyl-8-hydroxy-5-methyl-2-oxo-1,2-dihydro-[1,6]naphthyridine-7-carbonyl)-amino]-propionic acid
CID 60151403

Frequently Asked Questions

What is the IUPAC name of [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone (CID 164637791) is [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is Cc1ccc(O)c(CNc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)n1.
What is the InChIKey of [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
The InChIKey is FTPOGMHOHUYPNO-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-6-11-19(24)18(22-14)13-21-17-9-7-16(8-10-17)20(25)23-12-4-3-5-15(23)2/h6-11,15,21,24H,3-5,12-13H2,1-2H3/t15-/m0/s1.
What are the key properties of [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone?
[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]phenyl]-[(2S)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 164637791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).