3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H18N6O — CID 135145547

IUPAC3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1
InChIInChI=1S/C23H18N6O/c24-18-7-16-6-15(3-4-21(16)26-12-18)20-13-28-22-19(20)8-17(11-27-22)23(30)29-10-14-2-1-5-25-9-14/h1-9,11-13H,10,24H2,(H,27,28)(H,29,30)
InChIKeyVLPWWNJRDTWOIZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.69
Rot. Bonds4

About 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135145547) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135145547
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1
InChIInChI=1S/C23H18N6O/c24-18-7-16-6-15(3-4-21(16)26-12-18)20-13-28-22-19(20)8-17(11-27-22)23(30)29-10-14-2-1-5-25-9-14/h1-9,11-13H,10,24H2,(H,27,28)(H,29,30)
InChIKeyVLPWWNJRDTWOIZ-UHFFFAOYSA-N
XLogP3.69
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

3-(3-aminoquinolin-6-yl)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135145905
[(3R)-1-[8-fluoro-6-[5-(pyridin-3-ylmethylcarbamoyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]quinolin-4-yl]piperidin-3-yl]carbamic acid
CID 135145739
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
N-(3-aminopropyl)-3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135145577
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093
5-(2-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 46032131
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 135653937
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 135145547) is 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Nc1cnc2ccc(-c3c[nH]c4ncc(C(=O)NCc5cccnc5)cc34)cc2c1.
What is the InChIKey of 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is VLPWWNJRDTWOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c24-18-7-16-6-15(3-4-21(16)26-12-18)20-13-28-22-19(20)8-17(11-27-22)23(30)29-10-14-2-1-5-25-9-14/h1-9,11-13H,10,24H2,(H,27,28)(H,29,30).
What are the key properties of 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoquinolin-6-yl)-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135145547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).