pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

C26H23N5O3 — CID 25153096

IUPACpyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)30-24(22)31-25(32)21-10-8-18(9-11-21)16-29-26(33)34-17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32)
InChIKeyHHUWJEQBTCPYDH-UHFFFAOYSA-N
MW453.50 g/mol
LogP4.40
Rot. Bonds7

About pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 25153096) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID25153096
Molecular FormulaC26H23N5O3
Molecular Weight453.50 g/mol
Exact Mass453.18
IUPAC Namepyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)30-24(22)31-25(32)21-10-8-18(9-11-21)16-29-26(33)34-17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32)
InChIKeyHHUWJEQBTCPYDH-UHFFFAOYSA-N
XLogP4.40
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate 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

Entinostat
CID 4261
Ethyl 4-[3-[2-oxo-2-[(5-phenyl-2-pyridinyl)amino]ethyl]-5-pyridin-4-yltriazol-4-yl]benzoate
CID 134131920
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-4-methyl-2-pyridinyl]amino]methyl]-3-fluorophenyl]-6-fluorobenzoate
CID 44411294
1-Methyl-1-(1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-yl)-3-(5-phenylpyrazin-2-yl)urea
CID 57404430
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
CID 9887225
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
(S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-isopropylpiperazine-1-carboxylate
CID 16662689
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806
[4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester
CID 25155417

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (CID 25153096) is pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is Nc1ccc(-c2ccccc2)nc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is HHUWJEQBTCPYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c27-22-12-13-23(20-6-2-1-3-7-20)30-24(22)31-25(32)21-10-8-18(9-11-21)16-29-26(33)34-17-19-5-4-14-28-15-19/h1-15H,16-17,27H2,(H,29,33)(H,30,31,32).
What are the key properties of pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 453.50 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 25153096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).