2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile

C20H14ClN5 — CID 70728609

IUPAC2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl
InChIInChI=1S/C20H14ClN5/c21-18-9-13(4-5-14(18)11-22)17-10-19(26-20-16(17)6-8-24-20)25-12-15-3-1-2-7-23-15/h1-10H,12H2,(H2,24,25,26)
InChIKeyPQICXQXVAXSCQJ-UHFFFAOYSA-N
MW359.82 g/mol
LogP4.76
Rot. Bonds4

About 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile

2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile (PubChem CID 70728609) has the molecular formula C20H14ClN5 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
PubChem CID70728609
Molecular FormulaC20H14ClN5
Molecular Weight359.82 g/mol
Exact Mass359.09
IUPAC Name2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl
InChIInChI=1S/C20H14ClN5/c21-18-9-13(4-5-14(18)11-22)17-10-19(26-20-16(17)6-8-24-20)25-12-15-3-1-2-7-23-15/h1-10H,12H2,(H2,24,25,26)
InChIKeyPQICXQXVAXSCQJ-UHFFFAOYSA-N
XLogP4.76
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
4-(3-chloro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56913487
N-(pyridin-2-ylmethyl)-4-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56906338
4-(6-amino-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70773886
N-(pyridin-2-ylmethyl)-4-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56899720
4-isoquinolin-4-yl-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70788507
4-(3,6-dimethylpyrazin-2-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70769027
4-(2,6-dimethyl-3-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70781252
4-(5-fluoro-2-pyridinyl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70757798
6-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyridin-2-one
CID 56882752
5-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916716
4-(3-methylimidazol-4-yl)-N-(pyridin-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56914657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The IUPAC name of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile (CID 70728609) is 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile.
What is the SMILES notation for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The canonical SMILES for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile is N#Cc1ccc(-c2cc(NCc3ccccn3)nc3[nH]ccc23)cc1Cl.
What is the InChIKey of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
The InChIKey is PQICXQXVAXSCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5/c21-18-9-13(4-5-14(18)11-22)17-10-19(26-20-16(17)6-8-24-20)25-12-15-3-1-2-7-23-15/h1-10H,12H2,(H2,24,25,26).
What are the key properties of 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile?
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile has a molecular weight of 359.82 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile is sourced from PubChem (CID 70728609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).