4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

C27H24N4O3 — CID 44526076

IUPAC4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(C)c(-c3ccc(C(=O)Nc4ccncc4)cc3)c2)c1
InChIInChI=1S/C27H24N4O3/c1-18-6-11-23(31-27(33)30-22-4-3-5-24(16-22)34-2)17-25(18)19-7-9-20(10-8-19)26(32)29-21-12-14-28-15-13-21/h3-17H,1-2H3,(H,28,29,32)(H2,30,31,33)
InChIKeyQTRLZCZKVXZYQD-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.96
Rot. Bonds6

About 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide

4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (PubChem CID 44526076) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
PubChem CID44526076
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide
SMILESCOc1cccc(NC(=O)Nc2ccc(C)c(-c3ccc(C(=O)Nc4ccncc4)cc3)c2)c1
InChIInChI=1S/C27H24N4O3/c1-18-6-11-23(31-27(33)30-22-4-3-5-24(16-22)34-2)17-25(18)19-7-9-20(10-8-19)26(32)29-21-12-14-28-15-13-21/h3-17H,1-2H3,(H,28,29,32)(H2,30,31,33)
InChIKeyQTRLZCZKVXZYQD-UHFFFAOYSA-N
XLogP5.96
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ave-0118
CID 9811357
3-({4-[(5-Methoxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138023
N-methyl-7-(2-(3-(3-(trifluoromethoxy)phenyl)ureido)ethyl)isoquinoline-3-carboxamide
CID 11750815
3-isopropyl-N-(3-(3-(2-(methylamino)pyridin-4-yl)pyridin-2-yloxy)phenyl)benzamide
CID 44440300
5-[(4-Methoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571914
3-[2-(2-amino-3-pyridinyl)ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155512202
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 155547382
N-(3-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524467
3-({4-[(3-Methoxyphenyl)amino]pyrimidin-2-yl}amino)benzamide
CID 25138029
4-methoxy-N-({[4-(4-pyridinylmethyl)phenyl]amino}carbonothioyl)benzamide
CID 1500282
N-(3-Methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-YL)methyl]-1,2-dihydrophthalazin-2-YL}acetamide
CID 9550952
5-(4-cyanophenyl)-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]nicotinamide
CID 16745786

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide (CID 44526076) is 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is COc1cccc(NC(=O)Nc2ccc(C)c(-c3ccc(C(=O)Nc4ccncc4)cc3)c2)c1.
What is the InChIKey of 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
The InChIKey is QTRLZCZKVXZYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-18-6-11-23(31-27(33)30-22-4-3-5-24(16-22)34-2)17-25(18)19-7-9-20(10-8-19)26(32)29-21-12-14-28-15-13-21/h3-17H,1-2H3,(H,28,29,32)(H2,30,31,33).
What are the key properties of 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide?
4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide has a molecular weight of 452.51 g/mol, XLogP of 5.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-methoxyphenyl)carbamoylamino]-2-methylphenyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 44526076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).