N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

C17H23N5O — CID 166602908

IUPACN-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2nc3cccnc3n2C)C1
InChIInChI=1S/C17H23N5O/c1-20(16(23)12-7-8-12)13-5-4-10-22(11-13)17-19-14-6-3-9-18-15(14)21(17)2/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3
InChIKeyMDDAUEWHEZOIHC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide

N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 166602908) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID166602908
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)C1CCCN(c2nc3cccnc3n2C)C1
InChIInChI=1S/C17H23N5O/c1-20(16(23)12-7-8-12)13-5-4-10-22(11-13)17-19-14-6-3-9-18-15(14)21(17)2/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3
InChIKeyMDDAUEWHEZOIHC-UHFFFAOYSA-N
XLogP1.81
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide (CID 166602908) is N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is CN(C(=O)C1CC1)C1CCCN(c2nc3cccnc3n2C)C1.
What is the InChIKey of N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is MDDAUEWHEZOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-20(16(23)12-7-8-12)13-5-4-10-22(11-13)17-19-14-6-3-9-18-15(14)21(17)2/h3,6,9,12-13H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide?
N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166602908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).