5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

C21H18ClN5O2 — CID 141221179

IUPAC5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCCCn1c(-c2ccc(Nc3ccc(C(=O)O)nc3)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C21H18ClN5O2/c1-2-10-27-19-15(22)4-3-5-16(19)26-20(27)13-6-9-18(24-11-13)25-14-7-8-17(21(28)29)23-12-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,28,29)
InChIKeyGYGXLBKISZZMDY-UHFFFAOYSA-N
MW407.86 g/mol
LogP5.00
Rot. Bonds6

About 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid

5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (PubChem CID 141221179) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
PubChem CID141221179
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
SMILESCCCn1c(-c2ccc(Nc3ccc(C(=O)O)nc3)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C21H18ClN5O2/c1-2-10-27-19-15(22)4-3-5-16(19)26-20(27)13-6-9-18(24-11-13)25-14-7-8-17(21(28)29)23-12-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,28,29)
InChIKeyGYGXLBKISZZMDY-UHFFFAOYSA-N
XLogP5.00
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid (CID 141221179) is 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is CCCn1c(-c2ccc(Nc3ccc(C(=O)O)nc3)nc2)nc2cccc(Cl)c21.
What is the InChIKey of 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
The InChIKey is GYGXLBKISZZMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-2-10-27-19-15(22)4-3-5-16(19)26-20(27)13-6-9-18(24-11-13)25-14-7-8-17(21(28)29)23-12-14/h3-9,11-12H,2,10H2,1H3,(H,24,25)(H,28,29).
What are the key properties of 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid?
5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid has a molecular weight of 407.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 141221179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).