N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

C18H25N5O — CID 53186925

IUPACN-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2cccnc2n1C1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H25N5O/c1-13-20-16-8-5-10-19-17(16)23(13)15-9-11-22(12-15)18(24)21-14-6-3-2-4-7-14/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,24)
InChIKeyMERPHXJEOPCTQC-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.03
Rot. Bonds2

About N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide

N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (PubChem CID 53186925) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
PubChem CID53186925
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
SMILESCc1nc2cccnc2n1C1CCN(C(=O)NC2CCCCC2)C1
InChIInChI=1S/C18H25N5O/c1-13-20-16-8-5-10-19-17(16)23(13)15-9-11-22(12-15)18(24)21-14-6-3-2-4-7-14/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,24)
InChIKeyMERPHXJEOPCTQC-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide (CID 53186925) is N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is Cc1nc2cccnc2n1C1CCN(C(=O)NC2CCCCC2)C1.
What is the InChIKey of N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is MERPHXJEOPCTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-20-16-8-5-10-19-17(16)23(13)15-9-11-22(12-15)18(24)21-14-6-3-2-4-7-14/h5,8,10,14-15H,2-4,6-7,9,11-12H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide?
N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 53186925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).