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

C20H25N5O3 — CID 164752673

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCOc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)ccn1
InChIInChI=1S/C20H25N5O3/c1-12-4-5-16(14-6-7-22-17(9-14)28-3)25(11-12)20(27)19(26)24-15-8-13(2)18(21)23-10-15/h6-10,12,16H,4-5,11H2,1-3H3,(H2,21,23)(H,24,26)/t12-,16+/m0/s1
InChIKeyDTVKOHYUHVXWIS-BLLLJJGKSA-N
MW383.45 g/mol
LogP2.31
Rot. Bonds3

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

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164752673) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164752673
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCOc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)ccn1
InChIInChI=1S/C20H25N5O3/c1-12-4-5-16(14-6-7-22-17(9-14)28-3)25(11-12)20(27)19(26)24-15-8-13(2)18(21)23-10-15/h6-10,12,16H,4-5,11H2,1-3H3,(H2,21,23)(H,24,26)/t12-,16+/m0/s1
InChIKeyDTVKOHYUHVXWIS-BLLLJJGKSA-N
XLogP2.31
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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,5R)-2-(3-hydroxy-4-methylphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 164753144
N-(6-amino-5-methyl-3-pyridinyl)-2-[(5S)-5-methyl-2-pyridin-3-ylpiperidin-1-yl]-2-oxoacetamide
CID 167034069
[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-[(2S,5R)-5-methyl-2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoacetamide
CID 164750241
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-[(2S,5R)-5-methyl-2-(1-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetamide;molecular hydrogen
CID 167571171
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164752673) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is COc1cc([C@H]2CC[C@H](C)CN2C(=O)C(=O)Nc2cnc(N)c(C)c2)ccn1.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is DTVKOHYUHVXWIS-BLLLJJGKSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-4-5-16(14-6-7-22-17(9-14)28-3)25(11-12)20(27)19(26)24-15-8-13(2)18(21)23-10-15/h6-10,12,16H,4-5,11H2,1-3H3,(H2,21,23)(H,24,26)/t12-,16+/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 383.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(2-methoxy-4-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164752673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).