N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide

C19H22N4O2 — CID 163276867

IUPACN-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CNC1
InChIInChI=1S/C19H22N4O2/c1-11-18(12(2)22-10-21-11)16-7-14(23-19(24)13-3-4-13)5-6-17(16)25-15-8-20-9-15/h5-7,10,13,15,20H,3-4,8-9H2,1-2H3,(H,23,24)
InChIKeyABRHHKBVYSPBRC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide

N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide (PubChem CID 163276867) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
PubChem CID163276867
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CNC1
InChIInChI=1S/C19H22N4O2/c1-11-18(12(2)22-10-21-11)16-7-14(23-19(24)13-3-4-13)5-6-17(16)25-15-8-20-9-15/h5-7,10,13,15,20H,3-4,8-9H2,1-2H3,(H,23,24)
InChIKeyABRHHKBVYSPBRC-UHFFFAOYSA-N
XLogP2.46
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277064
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 176870016
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-[methyl(2-methylsulfinylethyl)amino]ethoxy]phenyl]cyclopropanecarboxamide
CID 163276973
N-[4-(azetidin-3-yloxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]benzamide
CID 163277264
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methoxyphenyl]cyclopropanecarboxamide;pyrrolidine
CID 163277112
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
cis-(1S,2S)-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-fluorocyclopropane-1-carboxamide
CID 163276956
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
N-[4-[2-(azetidin-1-yl)ethoxy]-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277132
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
3-(6-fluoro-3-pyridinyl)-N-[3-(4-methylphenyl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]-4-[(3S)-pyrrolidin-3-yl]oxybenzamide
CID 134391671
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
CID 176870041

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide (CID 163276867) is N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)C2CC2)ccc1OC1CNC1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is ABRHHKBVYSPBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11-18(12(2)22-10-21-11)16-7-14(23-19(24)13-3-4-13)5-6-17(16)25-15-8-20-9-15/h5-7,10,13,15,20H,3-4,8-9H2,1-2H3,(H,23,24).
What are the key properties of N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide?
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 163276867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).