N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C21H21N5O2 — CID 167420227

IUPACN-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CC3)cn2cc1C(=O)Nc1cccc(CC#N)n1
InChIInChI=1S/C21H21N5O2/c1-13(2)28-18-10-20-24-17(14-6-7-14)12-26(20)11-16(18)21(27)25-19-5-3-4-15(23-19)8-9-22/h3-5,10-14H,6-8H2,1-2H3,(H,23,25,27)
InChIKeyZMLZUMANIVBFTB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.71
Rot. Bonds6

About N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 167420227) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID167420227
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CC3)cn2cc1C(=O)Nc1cccc(CC#N)n1
InChIInChI=1S/C21H21N5O2/c1-13(2)28-18-10-20-24-17(14-6-7-14)12-26(20)11-16(18)21(27)25-19-5-3-4-15(23-19)8-9-22/h3-5,10-14H,6-8H2,1-2H3,(H,23,25,27)
InChIKeyZMLZUMANIVBFTB-UHFFFAOYSA-N
XLogP3.71
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 167420227) is N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CC3)cn2cc1C(=O)Nc1cccc(CC#N)n1.
What is the InChIKey of N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZMLZUMANIVBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13(2)28-18-10-20-24-17(14-6-7-14)12-26(20)11-16(18)21(27)25-19-5-3-4-15(23-19)8-9-22/h3-5,10-14H,6-8H2,1-2H3,(H,23,25,27).
What are the key properties of N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 167420227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).