(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide

C25H24N2O — CID 173363265

IUPAC(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide
SMILESO=C(C/C=C1\CCCc2ccccc21)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C25H24N2O/c28-24(16-15-20-12-6-11-19-8-4-5-14-23(19)20)27-25(21-9-2-1-3-10-21)22-13-7-17-26-18-22/h1-5,7-10,13-15,17-18,25H,6,11-12,16H2,(H,27,28)/b20-15+
InChIKeyNNKQZRXLRUFBCC-HMMYKYKNSA-N
MW368.48 g/mol
LogP5.10
Rot. Bonds5

About (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide

(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide (PubChem CID 173363265) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide
PubChem CID173363265
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide
SMILESO=C(C/C=C1\CCCc2ccccc21)NC(c1ccccc1)c1cccnc1
InChIInChI=1S/C25H24N2O/c28-24(16-15-20-12-6-11-19-8-4-5-14-23(19)20)27-25(21-9-2-1-3-10-21)22-13-7-17-26-18-22/h1-5,7-10,13-15,17-18,25H,6,11-12,16H2,(H,27,28)/b20-15+
InChIKeyNNKQZRXLRUFBCC-HMMYKYKNSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]pyridine
CID 6539762
2-(2-methoxyethylamino)-N-[phenyl(pyridin-3-yl)methyl]acetamide
CID 119875696
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
2-methyl-3-(methylamino)-N-[phenyl(pyridin-3-yl)methyl]propanamide
CID 119875686
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 99832422
2-(2-phenylimidazol-1-yl)-N-[(R)-phenyl(pyridin-3-yl)methyl]acetamide
CID 51492898
N-[(S)-(4-fluorophenyl)-pyridin-3-ylmethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 96568791
2-phenyl-N-[phenyl(pyridin-3-yl)methyl]cyclopropane-1-carboxamide
CID 86777242
2-amino-N-[phenyl(pyridin-3-yl)methyl]pentanamide
CID 119875674
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
3-(azepan-1-yl)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]propanamide
CID 125167685
(3S)-N-[(R)-phenyl(pyridin-3-yl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97214646

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The IUPAC name of (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide (CID 173363265) is (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide.
What is the SMILES notation for (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The canonical SMILES for (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide is O=C(C/C=C1\CCCc2ccccc21)NC(c1ccccc1)c1cccnc1.
What is the InChIKey of (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
The InChIKey is NNKQZRXLRUFBCC-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H24N2O/c28-24(16-15-20-12-6-11-19-8-4-5-14-23(19)20)27-25(21-9-2-1-3-10-21)22-13-7-17-26-18-22/h1-5,7-10,13-15,17-18,25H,6,11-12,16H2,(H,27,28)/b20-15+.
What are the key properties of (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide?
(3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3,4-dihydro-2H-naphthalen-1-ylidene)-N-[phenyl(pyridin-3-yl)methyl]propanamide is sourced from PubChem (CID 173363265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).