N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide

C30H32N6O — CID 155688870

IUPACN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1
InChIInChI=1S/C30H32N6O/c1-3-16-36-17-13-25(20-36)22-7-9-23(10-8-22)29(37)33-26-11-6-21(2)28(18-26)35-30-32-15-12-27(34-30)24-5-4-14-31-19-24/h4-12,14-15,18-19,25H,3,13,16-17,20H2,1-2H3,(H,33,37)(H,32,34,35)
InChIKeyXDKFFOOQBOULQX-UHFFFAOYSA-N
MW492.63 g/mol
LogP6.04
Rot. Bonds8

About N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide (PubChem CID 155688870) has the molecular formula C30H32N6O and a molecular weight of 492.63 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide
PubChem CID155688870
Molecular FormulaC30H32N6O
Molecular Weight492.63 g/mol
Exact Mass492.26
IUPAC NameN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide
SMILESCCCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1
InChIInChI=1S/C30H32N6O/c1-3-16-36-17-13-25(20-36)22-7-9-23(10-8-22)29(37)33-26-11-6-21(2)28(18-26)35-30-32-15-12-27(34-30)24-5-4-14-31-19-24/h4-12,14-15,18-19,25H,3,13,16-17,20H2,1-2H3,(H,33,37)(H,32,34,35)
InChIKeyXDKFFOOQBOULQX-UHFFFAOYSA-N
XLogP6.04
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.63
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide 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-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpiperidin-3-yl)benzamide
CID 155689014
4-methyl-N-[4-(1-propylpyrrolidin-3-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 155689008
4-(1-methylpiperidin-3-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 162645174
4-[1-(2,2-dimethylpropyl)piperidin-3-yl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 155689155
ethyl 4-[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 155688953
4-[1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperidin-3-yl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 155688949
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 11202429
methane;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 66715616
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;molecular hydrogen
CID 157040347
N-[4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]phenyl]-6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155688921
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
6-methyl-N-[3-methyl-5-(1-propylpiperidin-3-yl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridine-3-carboxamide
CID 155689043

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide?
The IUPAC name of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide (CID 155688870) is N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide?
The canonical SMILES for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide is CCCN1CCC(c2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2)C1.
What is the InChIKey of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide?
The InChIKey is XDKFFOOQBOULQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O/c1-3-16-36-17-13-25(20-36)22-7-9-23(10-8-22)29(37)33-26-11-6-21(2)28(18-26)35-30-32-15-12-27(34-30)24-5-4-14-31-19-24/h4-12,14-15,18-19,25H,3,13,16-17,20H2,1-2H3,(H,33,37)(H,32,34,35).
What are the key properties of N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide?
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide has a molecular weight of 492.63 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(1-propylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 155688870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).