N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C30H26N6O3 — CID 11947961

IUPACN-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)nn3-c3ccc(C)cc3)cc2)ccn1
InChIInChI=1S/C30H26N6O3/c1-20-8-12-23(13-9-20)36-28(19-26(35-36)21-6-4-3-5-7-21)34-30(38)33-22-10-14-24(15-11-22)39-25-16-17-32-27(18-25)29(37)31-2/h3-19H,1-2H3,(H,31,37)(H2,33,34,38)
InChIKeyWBJWGRZATBAGLS-UHFFFAOYSA-N
MW518.58 g/mol
LogP6.04
Rot. Bonds7

About N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 11947961) has the molecular formula C30H26N6O3 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID11947961
Molecular FormulaC30H26N6O3
Molecular Weight518.58 g/mol
Exact Mass518.21
IUPAC NameN-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)nn3-c3ccc(C)cc3)cc2)ccn1
InChIInChI=1S/C30H26N6O3/c1-20-8-12-23(13-9-20)36-28(19-26(35-36)21-6-4-3-5-7-21)34-30(38)33-22-10-14-24(15-11-22)39-25-16-17-32-27(18-25)29(37)31-2/h3-19H,1-2H3,(H,31,37)(H2,33,34,38)
InChIKeyWBJWGRZATBAGLS-UHFFFAOYSA-N
XLogP6.04
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.58
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-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-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
N-methyl-4-[4-[(3-propan-2-yl-1-quinolin-6-ylpyrazol-5-yl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69296990
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
4-[4-[[1-(1,3-benzothiazol-5-yl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69295346
3-[3-tert-butyl-5-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoylamino]pyrazol-1-yl]-2-ethylbenzoic acid
CID 67379718
1-[1-(4-methylphenyl)-3-prop-1-en-2-ylpyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
CID 89128476
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 58385486
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
2-methoxy-5-phenylaniline;4-[4-[(2-methoxy-5-phenylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 162196336
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-[4-[(2-chloro-6-methylphenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 139036241

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 11947961) is N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4ccccc4)nn3-c3ccc(C)cc3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is WBJWGRZATBAGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O3/c1-20-8-12-23(13-9-20)36-28(19-26(35-36)21-6-4-3-5-7-21)34-30(38)33-22-10-14-24(15-11-22)39-25-16-17-32-27(18-25)29(37)31-2/h3-19H,1-2H3,(H,31,37)(H2,33,34,38).
What are the key properties of N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 6.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 11947961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).