N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide

C21H23N3O2 — CID 90569861

IUPACN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(Cc2cnc3ccccn23)C2CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)26-19-10-6-16(7-11-19)21(25)24(17-8-9-17)14-18-13-22-20-5-3-4-12-23(18)20/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyPKJIVQGRUVXHFK-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.93
Rot. Bonds6

About N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide

N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide (PubChem CID 90569861) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
PubChem CID90569861
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N(Cc2cnc3ccccn23)C2CC2)cc1
InChIInChI=1S/C21H23N3O2/c1-15(2)26-19-10-6-16(7-11-19)21(25)24(17-8-9-17)14-18-13-22-20-5-3-4-12-23(18)20/h3-7,10-13,15,17H,8-9,14H2,1-2H3
InChIKeyPKJIVQGRUVXHFK-UHFFFAOYSA-N
XLogP3.93
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide?
The IUPAC name of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide (CID 90569861) is N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N(Cc2cnc3ccccn23)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide?
The InChIKey is PKJIVQGRUVXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(2)26-19-10-6-16(7-11-19)21(25)24(17-8-9-17)14-18-13-22-20-5-3-4-12-23(18)20/h3-7,10-13,15,17H,8-9,14H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide?
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 90569861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).