5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

C18H22ClN5O — CID 128978334

IUPAC5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCn1c(C2CCCN2c2ncc(C(N)=O)cc2Cl)nc2c1CCCC2
InChIInChI=1S/C18H22ClN5O/c1-23-14-6-3-2-5-13(14)22-18(23)15-7-4-8-24(15)17-12(19)9-11(10-21-17)16(20)25/h9-10,15H,2-8H2,1H3,(H2,20,25)
InChIKeyGSGPXNXUILQNKD-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 128978334) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID128978334
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCn1c(C2CCCN2c2ncc(C(N)=O)cc2Cl)nc2c1CCCC2
InChIInChI=1S/C18H22ClN5O/c1-23-14-6-3-2-5-13(14)22-18(23)15-7-4-8-24(15)17-12(19)9-11(10-21-17)16(20)25/h9-10,15H,2-8H2,1H3,(H2,20,25)
InChIKeyGSGPXNXUILQNKD-UHFFFAOYSA-N
XLogP2.79
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 128978334) is 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is Cn1c(C2CCCN2c2ncc(C(N)=O)cc2Cl)nc2c1CCCC2.
What is the InChIKey of 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is GSGPXNXUILQNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-23-14-6-3-2-5-13(14)22-18(23)15-7-4-8-24(15)17-12(19)9-11(10-21-17)16(20)25/h9-10,15H,2-8H2,1H3,(H2,20,25).
What are the key properties of 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 128978334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).