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

C26H34N4O2 — CID 134806783

IUPAC5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCCN4CCCC4)cc32)cc1
InChIInChI=1S/C26H34N4O2/c1-19(2)21-9-7-20(8-10-21)16-25(31)30-14-5-6-23-24(30)17-22(18-28-23)26(32)27-11-15-29-12-3-4-13-29/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,27,32)
InChIKeyLDFGPPIBRBBYKH-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.55
Rot. Bonds7

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

5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134806783) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134806783
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCCN4CCCC4)cc32)cc1
InChIInChI=1S/C26H34N4O2/c1-19(2)21-9-7-20(8-10-21)16-25(31)30-14-5-6-23-24(30)17-22(18-28-23)26(32)27-11-15-29-12-3-4-13-29/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,27,32)
InChIKeyLDFGPPIBRBBYKH-UHFFFAOYSA-N
XLogP3.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134806423
N-[(3-fluorophenyl)methyl]-5-[2-(4-propan-2-ylphenyl)acetyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134809733
5-[2-(4-propan-2-ylphenyl)acetyl]-N-[3-(trifluoromethyl)phenyl]-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134808817
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109253107
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
4-[(2-aminopropanoylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119881976
5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 70779896
CID 134809937
CID 134809937
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 166131232

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134806783) is 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is CC(C)c1ccc(CC(=O)N2CCCc3ncc(C(=O)NCCN4CCCC4)cc32)cc1.
What is the InChIKey of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is LDFGPPIBRBBYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19(2)21-9-7-20(8-10-21)16-25(31)30-14-5-6-23-24(30)17-22(18-28-23)26(32)27-11-15-29-12-3-4-13-29/h7-10,17-19H,3-6,11-16H2,1-2H3,(H,27,32).
What are the key properties of 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134806783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).