N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C21H26N4O3 — CID 164753144

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O
InChIInChI=1S/C21H26N4O3/c1-12-4-7-17(15-6-5-13(2)18(26)9-15)25(11-12)21(28)20(27)24-16-8-14(3)19(22)23-10-16/h5-6,8-10,12,17,26H,4,7,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,17+/m1/s1
InChIKeyAUXBYCWWJYFNIX-PXAZEXFGSA-N
MW382.46 g/mol
LogP2.92
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164753144) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164753144
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O
InChIInChI=1S/C21H26N4O3/c1-12-4-7-17(15-6-5-13(2)18(26)9-15)25(11-12)21(28)20(27)24-16-8-14(3)19(22)23-10-16/h5-6,8-10,12,17,26H,4,7,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,17+/m1/s1
InChIKeyAUXBYCWWJYFNIX-PXAZEXFGSA-N
XLogP2.92
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
[4-[(2S,5R)-1-[2-[(6-amino-5-methyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]phenyl] acetate
CID 164751936
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(4-methylsulfonylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 164750639
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175471315
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164752673
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 167034084
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(1H-indazol-6-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164750210
tert-butyl N-[5-[[2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 164752540
2-[(2S,5R)-2-(2-amino-1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-N-(6-amino-5-methyl-3-pyridinyl)-2-oxoacetamide
CID 164751446

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164753144) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1ccc([C@@H]2CC[C@@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)cc1O.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is AUXBYCWWJYFNIX-PXAZEXFGSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-4-7-17(15-6-5-13(2)18(26)9-15)25(11-12)21(28)20(27)24-16-8-14(3)19(22)23-10-16/h5-6,8-10,12,17,26H,4,7,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,17+/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 382.46 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164753144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).