2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid

C20H16N4O2 — CID 67086504

IUPAC2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cccc(-c2c[nH]c3ncccc23)c1
InChIInChI=1S/C20H16N4O2/c25-20(26)16-7-3-9-22-19(16)23-11-13-4-1-5-14(10-13)17-12-24-18-15(17)6-2-8-21-18/h1-10,12H,11H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyXNHKANPYLWAKLC-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.94
Rot. Bonds5

About 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid

2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid (PubChem CID 67086504) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
PubChem CID67086504
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cccc(-c2c[nH]c3ncccc23)c1
InChIInChI=1S/C20H16N4O2/c25-20(26)16-7-3-9-22-19(16)23-11-13-4-1-5-14(10-13)17-12-24-18-15(17)6-2-8-21-18/h1-10,12H,11H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyXNHKANPYLWAKLC-UHFFFAOYSA-N
XLogP3.94
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
2-oxo-N-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59362665
2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
N-[(3-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine
CID 135862898
3-oxo-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)furan-2-yl]propanoic acid
CID 167219249
2-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]pyridine-3-carboxylic acid
CID 166364586
1-[(6-chloro-3-pyridinyl)methyl]-3-[3-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]propanoyl]pyridin-2-one
CID 58499260
[2-(benzylamino)-3-pyridinyl]-(6-chloro-1H-indol-3-yl)methanone
CID 118038327
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 167890213
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
3-[[(6-oxo-5H-benzo[c][1,8]naphthyridin-9-yl)amino]methyl]benzoic acid
CID 123253179
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
CID 90919532

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid (CID 67086504) is 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCc1cccc(-c2c[nH]c3ncccc23)c1.
What is the InChIKey of 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid?
The InChIKey is XNHKANPYLWAKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c25-20(26)16-7-3-9-22-19(16)23-11-13-4-1-5-14(10-13)17-12-24-18-15(17)6-2-8-21-18/h1-10,12H,11H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid?
2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 3.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67086504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).