N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide

C17H18N2O3 — CID 154846570

IUPACN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3(O)CC3)cn2)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-3-5-14(9-12(11)2)22-15-6-4-13(10-18-15)19-16(20)17(21)7-8-17/h3-6,9-10,21H,7-8H2,1-2H3,(H,19,20)
InChIKeyBIUGRJHSLADDGD-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.95
Rot. Bonds4

About N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 154846570) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID154846570
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3(O)CC3)cn2)cc1C
InChIInChI=1S/C17H18N2O3/c1-11-3-5-14(9-12(11)2)22-15-6-4-13(10-18-15)19-16(20)17(21)7-8-17/h3-6,9-10,21H,7-8H2,1-2H3,(H,19,20)
InChIKeyBIUGRJHSLADDGD-UHFFFAOYSA-N
XLogP2.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
1-(methylamino)-N-[6-(4-methylphenoxy)-3-pyridinyl]cyclobutane-1-carboxamide
CID 154845228
N-tert-butyl-N-[1-[[6-(3-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]cyclopropyl]carbamate
CID 131746325
1-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-3-(1-methylpyrazol-3-yl)urea
CID 75456153
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 71884973
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 59912847
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide (CID 154846570) is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide is Cc1ccc(Oc2ccc(NC(=O)C3(O)CC3)cn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is BIUGRJHSLADDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11-3-5-14(9-12(11)2)22-15-6-4-13(10-18-15)19-16(20)17(21)7-8-17/h3-6,9-10,21H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide?
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 154846570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).