methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate

C22H20ClN5O2 — CID 68721576

IUPACmethyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCCCn1c(-c2ccc(Nc3ccc(C(=O)OC)nc3)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C22H20ClN5O2/c1-3-11-28-20-16(23)5-4-6-17(20)27-21(28)14-7-10-19(25-12-14)26-15-8-9-18(24-13-15)22(29)30-2/h4-10,12-13H,3,11H2,1-2H3,(H,25,26)
InChIKeyFHLHWUOYKIYDDS-UHFFFAOYSA-N
MW421.89 g/mol
LogP5.09
Rot. Bonds6

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

methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate (PubChem CID 68721576) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
PubChem CID68721576
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Namemethyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate
SMILESCCCn1c(-c2ccc(Nc3ccc(C(=O)OC)nc3)nc2)nc2cccc(Cl)c21
InChIInChI=1S/C22H20ClN5O2/c1-3-11-28-20-16(23)5-4-6-17(20)27-21(28)14-7-10-19(25-12-14)26-15-8-9-18(24-13-15)22(29)30-2/h4-10,12-13H,3,11H2,1-2H3,(H,25,26)
InChIKeyFHLHWUOYKIYDDS-UHFFFAOYSA-N
XLogP5.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.89
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate with MolForge

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Related Compounds

5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 141221179
7-chloro-2-(4-iodophenyl)-1-propylbenzimidazole
CID 68721057
2-(4-bromo-3-chlorophenyl)-7-chloro-1-propylbenzimidazole
CID 68720916
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
ethyl 5-(4-methylanilino)pyridine-2-carboxylate
CID 155674301
3-chloro-N-(4-methoxyphenyl)-5-(1-propylbenzimidazol-2-yl)pyridin-2-amine
CID 25099887
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]-3-pyridinyl]amino]benzoate
CID 109199100
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585
methyl 3-[[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113035339
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate (CID 68721576) is methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate is CCCn1c(-c2ccc(Nc3ccc(C(=O)OC)nc3)nc2)nc2cccc(Cl)c21.
What is the InChIKey of methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate?
The InChIKey is FHLHWUOYKIYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-3-11-28-20-16(23)5-4-6-17(20)27-21(28)14-7-10-19(25-12-14)26-15-8-9-18(24-13-15)22(29)30-2/h4-10,12-13H,3,11H2,1-2H3,(H,25,26).
What are the key properties of methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate?
methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate has a molecular weight of 421.89 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[5-(7-chloro-1-propylbenzimidazol-2-yl)-2-pyridinyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 68721576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).