N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide

C23H31N5O2 — CID 175637938

IUPACN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(NC)cc2)cnc1N
InChIInChI=1S/C23H31N5O2/c1-5-16-12-19(13-26-20(16)24)27-21(29)22(30)28-14-15(2)10-11-23(28,3)17-6-8-18(25-4)9-7-17/h6-9,12-13,15,25H,5,10-11,14H2,1-4H3,(H2,24,26)(H,27,29)/t15-,23-/m0/s1
InChIKeyNENXEFDXLFJSPZ-WNSKOXEYSA-N
MW409.53 g/mol
LogP3.38
Rot. Bonds4

About N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 175637938) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID175637938
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(NC)cc2)cnc1N
InChIInChI=1S/C23H31N5O2/c1-5-16-12-19(13-26-20(16)24)27-21(29)22(30)28-14-15(2)10-11-23(28,3)17-6-8-18(25-4)9-7-17/h6-9,12-13,15,25H,5,10-11,14H2,1-4H3,(H2,24,26)(H,27,29)/t15-,23-/m0/s1
InChIKeyNENXEFDXLFJSPZ-WNSKOXEYSA-N
XLogP3.38
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.38
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-ethyl-3-pyridinyl)-2-[(2S,5S)-2-(6-amino-3-pyridinyl)-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637165
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)piperidin-1-yl]-2-oxoacetamide
CID 175637100
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoacetamide
CID 175638055
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 175637697
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpiperidin-1-yl]-2-oxoacetamide
CID 175637964
2-[(2S,5R)-2-(4-acetamidophenyl)-5-methylpiperidin-1-yl]-N-(6-amino-5-ethyl-3-pyridinyl)-2-oxoacetamide
CID 166022591
tert-butyl N-[5-[[2-[(5S)-2,5-dimethyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate
CID 175637933
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5R)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetamide
CID 165076589
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[3-[(3R)-1-methylpyrrolidin-3-yl]phenyl]piperidin-1-yl]-2-oxoacetamide
CID 166022686
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(2-methyl-2-azabicyclo[2.2.2]octan-4-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 164751357
5-[[(5S)-1-[2-[(6-amino-5-ethyl-3-pyridinyl)amino]-2-oxoacetyl]-5-methylpiperidin-2-yl]methyl]thiophene-2-carboxamide
CID 175634466
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetamide
CID 164753891

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide (CID 175637938) is N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide is CCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(NC)cc2)cnc1N.
What is the InChIKey of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NENXEFDXLFJSPZ-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-5-16-12-19(13-26-20(16)24)27-21(29)22(30)28-14-15(2)10-11-23(28,3)17-6-8-18(25-4)9-7-17/h6-9,12-13,15,25H,5,10-11,14H2,1-4H3,(H2,24,26)(H,27,29)/t15-,23-/m0/s1.
What are the key properties of N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 409.53 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(methylamino)phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).