N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C25H31N3O3 — CID 134806423

IUPACN-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCC4CCCO4)cc32)cc1
InChIInChI=1S/C25H31N3O3/c1-17(2)19-9-7-18(8-10-19)13-24(29)28-11-3-6-22-23(28)14-20(15-26-22)25(30)27-16-21-5-4-12-31-21/h7-10,14-15,17,21H,3-6,11-13,16H2,1-2H3,(H,27,30)
InChIKeyGQADBXYLJKOJPN-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.64
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134806423) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134806423
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCC4CCCO4)cc32)cc1
InChIInChI=1S/C25H31N3O3/c1-17(2)19-9-7-18(8-10-19)13-24(29)28-11-3-6-22-23(28)14-20(15-26-22)25(30)27-16-21-5-4-12-31-21/h7-10,14-15,17,21H,3-6,11-13,16H2,1-2H3,(H,27,30)
InChIKeyGQADBXYLJKOJPN-UHFFFAOYSA-N
XLogP3.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
N-(oxolan-2-ylmethyl)-2-piperazin-1-yl-5-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 46379625
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740126
2-(2-methyl-5-propan-2-ylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 110771074
N-[[(2S)-oxolan-2-yl]methyl]-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 42427540
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
N-(oxolan-2-ylmethyl)-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 17202238
3-methyl-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)butanamide
CID 110316787
5-(oxolan-2-ylmethylcarbamoyl)-3-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,2-oxazole-4-carboxylic acid
CID 11958599
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134806423) is N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCC4CCCO4)cc32)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is GQADBXYLJKOJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-17(2)19-9-7-18(8-10-19)13-24(29)28-11-3-6-22-23(28)14-20(15-26-22)25(30)27-16-21-5-4-12-31-21/h7-10,14-15,17,21H,3-6,11-13,16H2,1-2H3,(H,27,30).
What are the key properties of N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134806423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).