N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide

C28H33N3O — CID 112533663

IUPACN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C28H33N3O/c1-28(2,3)24-12-9-21(10-13-24)11-14-27(32)30-26-18-29-17-23-20-31(16-15-25(23)26)19-22-7-5-4-6-8-22/h4-10,12-13,17-18H,11,14-16,19-20H2,1-3H3,(H,30,32)
InChIKeyXPUBYKOQSAUPHV-UHFFFAOYSA-N
MW427.59 g/mol
LogP5.51
Rot. Bonds6

About N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide

N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide (PubChem CID 112533663) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound NameN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide
PubChem CID112533663
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC NameN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C28H33N3O/c1-28(2,3)24-12-9-21(10-13-24)11-14-27(32)30-26-18-29-17-23-20-31(16-15-25(23)26)19-22-7-5-4-6-8-22/h4-10,12-13,17-18H,11,14-16,19-20H2,1-3H3,(H,30,32)
InChIKeyXPUBYKOQSAUPHV-UHFFFAOYSA-N
XLogP5.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 112533666
3-(4-tert-butylphenyl)-N-(2-chlorophenyl)propanamide
CID 19221189
methyl 6-benzyl-2-(3-phenylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate;hydrochloride
CID 44973501
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-phenylpropanamide;hydrochloride
CID 16798207
3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030
2-benzyl-5-isocyanato-3,4-dihydro-1H-2,7-naphthyridine
CID 83920247
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
6-benzyl-2-[(4-tert-butylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798239
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731665
2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 1316796

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide?
The IUPAC name of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide (CID 112533663) is N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide?
The canonical SMILES for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide?
The InChIKey is XPUBYKOQSAUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c1-28(2,3)24-12-9-21(10-13-24)11-14-27(32)30-26-18-29-17-23-20-31(16-15-25(23)26)19-22-7-5-4-6-8-22/h4-10,12-13,17-18H,11,14-16,19-20H2,1-3H3,(H,30,32).
What are the key properties of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide?
N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide has a molecular weight of 427.59 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 112533663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).