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

C21H26N4O3 — CID 164752986

IUPACN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(O)cc2)cnc(N)c1C
InChIInChI=1S/C21H26N4O3/c1-12-4-9-18(15-5-7-16(26)8-6-15)25(11-12)21(28)20(27)24-17-10-23-19(22)14(3)13(17)2/h5-8,10,12,18,26H,4,9,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,18+/m1/s1
InChIKeyXQSFYKGPMSCGSS-XIKOKIGWSA-N
MW382.46 g/mol
LogP2.92
Rot. Bonds2

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

N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164752986) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164752986
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(O)cc2)cnc(N)c1C
InChIInChI=1S/C21H26N4O3/c1-12-4-9-18(15-5-7-16(26)8-6-15)25(11-12)21(28)20(27)24-17-10-23-19(22)14(3)13(17)2/h5-8,10,12,18,26H,4,9,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,18+/m1/s1
InChIKeyXQSFYKGPMSCGSS-XIKOKIGWSA-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-4,5-dimethyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide
CID 164753441
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[5-methyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 169113542
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-(4-methylsulfonylphenyl)piperidin-1-yl]-2-oxoacetamide
CID 164750639
N-(4-amino-1H-pyrazolo[4,5-c]pyridin-7-yl)-2-[(2R,5S)-2-[4-[(dimethylamino)methyl]phenyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 169113098
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-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
CID 169114933
N-(7-amino-1-methylpyrazolo[5,4-c]pyridin-4-yl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 169113669
[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
bis(N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide);N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 165062940
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-(6-methylsulfonyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175471315

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 164752986) is N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is Cc1c(NC(=O)C(=O)N2C[C@H](C)CC[C@H]2c2ccc(O)cc2)cnc(N)c1C.
What is the InChIKey of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is XQSFYKGPMSCGSS-XIKOKIGWSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-12-4-9-18(15-5-7-16(26)8-6-15)25(11-12)21(28)20(27)24-17-10-23-19(22)14(3)13(17)2/h5-8,10,12,18,26H,4,9,11H2,1-3H3,(H2,22,23)(H,24,27)/t12-,18+/m1/s1.
What are the key properties of N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-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-4,5-dimethyl-3-pyridinyl)-2-[(2S,5R)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164752986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).