N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

C21H24N2O3 — CID 91763442

IUPACN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3ccccn3)C3CC(O)C3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-17-7-5-15(6-8-17)21(9-10-21)20(25)23-19(14-12-16(24)13-14)18-4-2-3-11-22-18/h2-8,11,14,16,19,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyGIBFCXXDMZBPIQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.75
Rot. Bonds6

About N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 91763442) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID91763442
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(c3ccccn3)C3CC(O)C3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-17-7-5-15(6-8-17)21(9-10-21)20(25)23-19(14-12-16(24)13-14)18-4-2-3-11-22-18/h2-8,11,14,16,19,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyGIBFCXXDMZBPIQ-UHFFFAOYSA-N
XLogP2.75
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 91763442) is N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)NC(c3ccccn3)C3CC(O)C3)CC2)cc1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is GIBFCXXDMZBPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-17-7-5-15(6-8-17)21(9-10-21)20(25)23-19(14-12-16(24)13-14)18-4-2-3-11-22-18/h2-8,11,14,16,19,24H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 91763442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).