N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C20H16N4O — CID 155540633

IUPACN-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCc1cccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)c1
InChIInChI=1S/C20H16N4O/c1-13-4-2-5-14(8-13)16-9-17-18(12-23-19(17)22-11-16)24-20(25)15-6-3-7-21-10-15/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyAJKZJGFDHDTOSH-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.19
Rot. Bonds3

About N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 155540633) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID155540633
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESCc1cccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)c1
InChIInChI=1S/C20H16N4O/c1-13-4-2-5-14(8-13)16-9-17-18(12-23-19(17)22-11-16)24-20(25)15-6-3-7-21-10-15/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyAJKZJGFDHDTOSH-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10222445
N-[5-[4-[[bis(2-hydroxyethyl)amino]methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 10181158
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
5-methyl-3-(pyridine-3-carbonylamino)-1H-pyrrole-2-carboxylic acid
CID 113483053
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-[2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925408
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
1-pyridin-4-yl-3-[3-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58086585

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 155540633) is N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is Cc1cccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)c1.
What is the InChIKey of N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is AJKZJGFDHDTOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-13-4-2-5-14(8-13)16-9-17-18(12-23-19(17)22-11-16)24-20(25)15-6-3-7-21-10-15/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155540633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).