N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

C28H27N3O2 — CID 86897663

IUPACN-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H27N3O2/c1-21(26-13-7-8-17-29-26)31(20-22-9-3-2-4-10-22)27(32)16-18-30-28(33)25-15-14-23-11-5-6-12-24(23)19-25/h2-15,17,19,21H,16,18,20H2,1H3,(H,30,33)
InChIKeyCLUJQFXWTYLLDO-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.14
Rot. Bonds8

About N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 86897663) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID86897663
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCC(c1ccccn1)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H27N3O2/c1-21(26-13-7-8-17-29-26)31(20-22-9-3-2-4-10-22)27(32)16-18-30-28(33)25-15-14-23-11-5-6-12-24(23)19-25/h2-15,17,19,21H,16,18,20H2,1H3,(H,30,33)
InChIKeyCLUJQFXWTYLLDO-UHFFFAOYSA-N
XLogP5.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55580575
3-[2-methylpropyl-[3-(naphthalene-2-carbonylamino)propanoyl]amino]propanoic acid
CID 119189971
N-benzyl-1-methyl-N-[(1R)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 95324134
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
benzyl-diethyl-[2-(naphthalene-2-carbonylamino)ethyl]azanium
CID 54366535
N-benzyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(1-pyridin-2-ylethyl)benzamide
CID 86898588
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
1-benzyl-3-(1-methoxypropan-2-yl)-1-(1-pyridin-2-ylethyl)urea
CID 56782733
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 86897663) is N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is CC(c1ccccn1)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is CLUJQFXWTYLLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-21(26-13-7-8-17-29-26)31(20-22-9-3-2-4-10-22)27(32)16-18-30-28(33)25-15-14-23-11-5-6-12-24(23)19-25/h2-15,17,19,21H,16,18,20H2,1H3,(H,30,33).
What are the key properties of N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 86897663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).