N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride

C29H37ClN4O3 — CID 19820741

IUPACN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1.Cl
InChIInChI=1S/C29H36N4O3.ClH/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21;/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35);1H
InChIKeyOPMPPNMWFJYPTM-UHFFFAOYSA-N
MW525.09 g/mol
LogP6.23
Rot. Bonds9

About N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride

N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride (PubChem CID 19820741) has the molecular formula C29H37ClN4O3 and a molecular weight of 525.09 g/mol. Its IUPAC name is N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride
PubChem CID19820741
Molecular FormulaC29H37ClN4O3
Molecular Weight525.09 g/mol
Exact Mass524.26
IUPAC NameN-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1.Cl
InChIInChI=1S/C29H36N4O3.ClH/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21;/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35);1H
InChIKeyOPMPPNMWFJYPTM-UHFFFAOYSA-N
XLogP6.23
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.09
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride 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-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
4-methoxy-N-quinolin-6-ylbenzamide
CID 1506499
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
PMID22490048C(R)-10h
CID 57522468
4-(cyclopropylmethoxy)-N-{3-[(1R)-1-[(2-acetamidoethyl)amino]ethyl]-8-methylquinolin-7-yl}benzamide
CID 57523087
N-(4-{[3-(2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-5-Methoxybenzoyl]amino}phenyl)pyridine-2-Carboxamide
CID 78673835
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
4-methoxy-N-{4-[(3-pyridinylamino)carbonyl]phenyl}benzamide
CID 972486

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride?
The IUPAC name of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride (CID 19820741) is N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride is COc1ccc(C(=O)NC(C)(CNC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccn2)cc1.Cl.
What is the InChIKey of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride?
The InChIKey is OPMPPNMWFJYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3.ClH/c1-19(2)23-10-9-11-24(20(3)4)26(23)32-28(35)31-18-29(5,25-12-7-8-17-30-25)33-27(34)21-13-15-22(36-6)16-14-21;/h7-17,19-20H,18H2,1-6H3,(H,33,34)(H2,31,32,35);1H.
What are the key properties of N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride?
N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride has a molecular weight of 525.09 g/mol, XLogP of 6.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-2-pyridin-2-ylpropan-2-yl]-4-methoxybenzamide;hydrochloride is sourced from PubChem (CID 19820741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).