2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide

C24H34N6O3 — CID 118616776

IUPAC2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCCCCN3CCc4oc(C)nc4C3)ccn2)CC1
InChIInChI=1S/C24H34N6O3/c1-17-27-21-16-29(12-8-22(21)33-17)11-4-3-9-26-24(32)19-5-10-25-23(15-19)28-20-6-13-30(14-7-20)18(2)31/h5,10,15,20H,3-4,6-9,11-14,16H2,1-2H3,(H,25,28)(H,26,32)
InChIKeyKYBXQOBMRBJGRE-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.37
Rot. Bonds8

About 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide

2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide (PubChem CID 118616776) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide
PubChem CID118616776
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCCCCN3CCc4oc(C)nc4C3)ccn2)CC1
InChIInChI=1S/C24H34N6O3/c1-17-27-21-16-29(12-8-22(21)33-17)11-4-3-9-26-24(32)19-5-10-25-23(15-19)28-20-6-13-30(14-7-20)18(2)31/h5,10,15,20H,3-4,6-9,11-14,16H2,1-2H3,(H,25,28)(H,26,32)
InChIKeyKYBXQOBMRBJGRE-UHFFFAOYSA-N
XLogP2.37
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyridine-4-carboxamide
CID 90245998
2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxybutyl]pyridine-4-carboxamide
CID 118934914
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
2-[(1-acetylpiperidin-4-yl)methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyridine-4-carboxamide
CID 149112027
2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylsulfanylamino)propyl]pyridine-4-carboxamide
CID 139296960
2-[(1-acetylpiperidin-4-yl)amino]-N-(3,5,10,10a-tetrahydro-2H-[1,3]oxazolo[3,2-b]isoquinolin-2-ylmethyl)pyridine-4-carboxamide
CID 139296941
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611184
2-[(1-acetylpiperidin-4-yl)amino]-N-[3-(1,3-dihydroisoindol-2-yl)-2-(methanesulfonamido)propyl]pyridine-4-carboxamide
CID 123191309
2-[(1-acetylpiperidin-4-yl)amino]-N-[2-methyl-3-[6-[(1R)-2-methylcyclopropyl]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyridine-4-carboxamide
CID 144655479
2-[(1-acetylpiperidin-4-yl)amino]-N-[3-[7-fluoro-6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropyl]pyridine-4-carboxamide
CID 166672133
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide (CID 118616776) is 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NCCCCN3CCc4oc(C)nc4C3)ccn2)CC1.
What is the InChIKey of 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide?
The InChIKey is KYBXQOBMRBJGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-17-27-21-16-29(12-8-22(21)33-17)11-4-3-9-26-24(32)19-5-10-25-23(15-19)28-20-6-13-30(14-7-20)18(2)31/h5,10,15,20H,3-4,6-9,11-14,16H2,1-2H3,(H,25,28)(H,26,32).
What are the key properties of 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide?
2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidin-4-yl)amino]-N-[4-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)butyl]pyridine-4-carboxamide is sourced from PubChem (CID 118616776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).