N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide

C20H25N5O2 — CID 164751109

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCNc1cccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)c1
InChIInChI=1S/C20H25N5O2/c1-13-10-16(12-23-18(13)21)24-19(26)20(27)25-9-4-3-8-17(25)14-6-5-7-15(11-14)22-2/h5-7,10-12,17,22H,3-4,8-9H2,1-2H3,(H2,21,23)(H,24,26)/t17-/m0/s1
InChIKeyCMBPKIUKTGZQMZ-KRWDZBQOSA-N
MW367.45 g/mol
LogP2.71
Rot. Bonds3

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 164751109) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID164751109
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCNc1cccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)c1
InChIInChI=1S/C20H25N5O2/c1-13-10-16(12-23-18(13)21)24-19(26)20(27)25-9-4-3-8-17(25)14-6-5-7-15(11-14)22-2/h5-7,10-12,17,22H,3-4,8-9H2,1-2H3,(H2,21,23)(H,24,26)/t17-/m0/s1
InChIKeyCMBPKIUKTGZQMZ-KRWDZBQOSA-N
XLogP2.71
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide
CID 164753661
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-hydroxy-4-methylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 175637266
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4-fluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033401
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(3-chloro-4,5-difluorophenyl)piperidin-1-yl]-2-oxoacetamide
CID 167033385
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-(7-fluoro-1H-indazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 167033259
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 167033892
tert-butyl N-[3-methyl-5-[[2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetyl]amino]-2-pyridinyl]carbamate
CID 167033491
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164751196
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-[(2S,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(1R,2S,5S)-2-phenyl-3-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 164753114

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide (CID 164751109) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide is CNc1cccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(N)c(C)c2)c1.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is CMBPKIUKTGZQMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-10-16(12-23-18(13)21)24-19(26)20(27)25-9-4-3-8-17(25)14-6-5-7-15(11-14)22-2/h5-7,10-12,17,22H,3-4,8-9H2,1-2H3,(H2,21,23)(H,24,26)/t17-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.71, 3 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)-2-[3-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164751109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).