N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide

C20H29N3O3 — CID 75279671

IUPACN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)c1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)15-11-17(24)22-16-10-12(7-8-13(15)16)21-18(25)14-6-5-9-23(4)19(14)26/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySMVMTTYWOSVDKS-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.83
Rot. Bonds2

About N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide

N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 75279671) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID75279671
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)c1=O
InChIInChI=1S/C20H29N3O3/c1-20(2,3)15-11-17(24)22-16-10-12(7-8-13(15)16)21-18(25)14-6-5-9-23(4)19(14)26/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3,(H,21,25)(H,22,24)
InChIKeySMVMTTYWOSVDKS-UHFFFAOYSA-N
XLogP1.83
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide (CID 75279671) is N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC2CCC3C(C2)NC(=O)CC3C(C)(C)C)c1=O.
What is the InChIKey of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is SMVMTTYWOSVDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,3)15-11-17(24)22-16-10-12(7-8-13(15)16)21-18(25)14-6-5-9-23(4)19(14)26/h5-6,9,12-13,15-16H,7-8,10-11H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 75279671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).