4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide

C22H23N5O3 — CID 67538548

IUPAC4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(NC(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-19-8-6-17(7-9-19)27-22(29)25-14-20(23)15-2-4-16(5-3-15)21(28)26-18-10-12-24-13-11-18/h2-13,20H,14,23H2,1H3,(H,24,26,28)(H2,25,27,29)
InChIKeyFCWODXDKZLUIHF-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.16
Rot. Bonds7

About 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide

4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 67538548) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
PubChem CID67538548
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(NC(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-19-8-6-17(7-9-19)27-22(29)25-14-20(23)15-2-4-16(5-3-15)21(28)26-18-10-12-24-13-11-18/h2-13,20H,14,23H2,1H3,(H,24,26,28)(H2,25,27,29)
InChIKeyFCWODXDKZLUIHF-UHFFFAOYSA-N
XLogP3.16
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide 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

4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-[1-amino-2-[[2-(2,6-difluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67549543
4-[1-amino-2-[[2-(4-phenylphenyl)acetyl]amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536747
4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67537979
4-[1-amino-2-[[2-(2,4-dimethoxyphenyl)acetyl]-methylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15983405
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide (CID 67538548) is 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide is COc1ccc(NC(=O)NCC(N)c2ccc(C(=O)Nc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is FCWODXDKZLUIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-30-19-8-6-17(7-9-19)27-22(29)25-14-20(23)15-2-4-16(5-3-15)21(28)26-18-10-12-24-13-11-18/h2-13,20H,14,23H2,1H3,(H,24,26,28)(H2,25,27,29).
What are the key properties of 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide?
4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 405.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[(4-methoxyphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67538548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).