N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H20N4O2 — CID 162513592

IUPACN-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1-c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-14-3-5-16(6-4-14)22(28)27-17-9-7-15(8-10-17)20-18-11-12-25-21(18)26-13-19(20)23(29)24-2/h3-13H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyVAGCDXBKUZVEQW-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.15
Rot. Bonds4

About N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 162513592) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID162513592
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1-c1ccc(NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H20N4O2/c1-14-3-5-16(6-4-14)22(28)27-17-9-7-15(8-10-17)20-18-11-12-25-21(18)26-13-19(20)23(29)24-2/h3-13H,1-2H3,(H,24,29)(H,25,26)(H,27,28)
InChIKeyVAGCDXBKUZVEQW-UHFFFAOYSA-N
XLogP4.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 121267960
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
N-(4-methylphenyl)-4-[5-(4-methylphenyl)pyrimidin-2-yl]oxybenzamide
CID 46388960
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133388134
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 162513592) is N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1-c1ccc(NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VAGCDXBKUZVEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-14-3-5-16(6-4-14)22(28)27-17-9-7-15(8-10-17)20-18-11-12-25-21(18)26-13-19(20)23(29)24-2/h3-13H,1-2H3,(H,24,29)(H,25,26)(H,27,28).
What are the key properties of N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[(4-methylbenzoyl)amino]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 162513592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).