3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

C23H21N5O2 — CID 11696970

IUPAC3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cccnc34)cc2)cc1C
InChIInChI=1S/C23H21N5O2/c1-13-5-8-17(12-14(13)2)27-23(30)26-16-9-6-15(7-10-16)19-20-18(4-3-11-25-20)28-21(19)22(24)29/h3-12,28H,1-2H3,(H2,24,29)(H2,26,27,30)
InChIKeyYUYZAKVGHVGRGQ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.59
Rot. Bonds4

About 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (PubChem CID 11696970) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
PubChem CID11696970
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cccnc34)cc2)cc1C
InChIInChI=1S/C23H21N5O2/c1-13-5-8-17(12-14(13)2)27-23(30)26-16-9-6-15(7-10-16)19-20-18(4-3-11-25-20)28-21(19)22(24)29/h3-12,28H,1-2H3,(H2,24,29)(H2,26,27,30)
InChIKeyYUYZAKVGHVGRGQ-UHFFFAOYSA-N
XLogP4.59
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
CID 11545848
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195
3-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445324
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
1-(4-fluoro-3-methylphenyl)-3-(1H-pyrazolo[4,3-b]pyridin-3-yl)urea
CID 53373996
3-(3-aminothiophen-2-yl)-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 150454014
3-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 57445292
1-(2-methyl-1H-indol-5-yl)-3-quinolin-6-ylurea
CID 67835168
3-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67198510
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)urea
CID 769283
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
3-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 57445340

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide (CID 11696970) is 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4cccnc34)cc2)cc1C.
What is the InChIKey of 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
The InChIKey is YUYZAKVGHVGRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-13-5-8-17(12-14(13)2)27-23(30)26-16-9-6-15(7-10-16)19-20-18(4-3-11-25-20)28-21(19)22(24)29/h3-12,28H,1-2H3,(H2,24,29)(H2,26,27,30).
What are the key properties of 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide?
3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 11696970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).