N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide

C22H22N4O2 — CID 23906553

IUPACN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H22N4O2/c1-15-4-9-18(11-20(15)26-22(28)19-3-2-10-24-14-19)21(27)25-13-17-7-5-16(12-23)6-8-17/h2-11,14H,12-13,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyOMZUASYBSMKXFY-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.03
Rot. Bonds6

About N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide

N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide (PubChem CID 23906553) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
PubChem CID23906553
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccnc1
InChIInChI=1S/C22H22N4O2/c1-15-4-9-18(11-20(15)26-22(28)19-3-2-10-24-14-19)21(27)25-13-17-7-5-16(12-23)6-8-17/h2-11,14H,12-13,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyOMZUASYBSMKXFY-UHFFFAOYSA-N
XLogP3.03
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-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-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23912725
N-[(4-carbamoylphenyl)methyl]pyridine-3-carboxamide
CID 108766189
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23794603
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
3-N-(2-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055185
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide (CID 23906553) is N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(CN)cc2)cc1NC(=O)c1cccnc1.
What is the InChIKey of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
The InChIKey is OMZUASYBSMKXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-4-9-18(11-20(15)26-22(28)19-3-2-10-24-14-19)21(27)25-13-17-7-5-16(12-23)6-8-17/h2-11,14H,12-13,23H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide?
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 23906553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).