3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide

C24H26N4O2 — CID 85095637

IUPAC3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
SMILESO=C(NCCCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C24H26N4O2/c29-23(27-21-13-16-25-17-14-21)22(18-20-10-5-2-6-11-20)28-24(30)26-15-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14,16-17,22H,7,12,15,18H2,(H,25,27,29)(H2,26,28,30)
InChIKeyFCIYLLPQOIFKSZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.56
Rot. Bonds9

About 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide

3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide (PubChem CID 85095637) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
PubChem CID85095637
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
SMILESO=C(NCCCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccncc1
InChIInChI=1S/C24H26N4O2/c29-23(27-21-13-16-25-17-14-21)22(18-20-10-5-2-6-11-20)28-24(30)26-15-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14,16-17,22H,7,12,15,18H2,(H,25,27,29)(H2,26,28,30)
InChIKeyFCIYLLPQOIFKSZ-UHFFFAOYSA-N
XLogP3.56
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide 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

(2S)-2-(dodecylcarbamoylamino)-3-phenyl-N-pyridin-4-ylpropanamide
CID 10456550
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
CID 94798428
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 43006853
benzyl N-[(2S)-1-oxo-3-phenyl-1-[3-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-(3-phenylpropylcarbamoyl)anilino]propan-2-yl]carbamate
CID 139822193
2-(butylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42757921
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
3-phenyl-N-(2-phenylethyl)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanamide
CID 42702046

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide (CID 85095637) is 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide is O=C(NCCCc1ccccc1)NC(Cc1ccccc1)C(=O)Nc1ccncc1.
What is the InChIKey of 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide?
The InChIKey is FCIYLLPQOIFKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(27-21-13-16-25-17-14-21)22(18-20-10-5-2-6-11-20)28-24(30)26-15-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14,16-17,22H,7,12,15,18H2,(H,25,27,29)(H2,26,28,30).
What are the key properties of 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide?
3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide has a molecular weight of 402.50 g/mol, XLogP of 3.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 85095637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).