2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide

C18H18N4O2 — CID 46431766

IUPAC2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1-n1cccn1
InChIInChI=1S/C18H18N4O2/c1-14(24-16-8-3-2-4-9-16)18(23)20-13-15-7-5-10-19-17(15)22-12-6-11-21-22/h2-12,14H,13H2,1H3,(H,20,23)
InChIKeyZPOKKWXFJHTILP-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.35
Rot. Bonds6

About 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide

2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 46431766) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID46431766
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCc1cccnc1-n1cccn1
InChIInChI=1S/C18H18N4O2/c1-14(24-16-8-3-2-4-9-16)18(23)20-13-15-7-5-10-19-17(15)22-12-6-11-21-22/h2-12,14H,13H2,1H3,(H,20,23)
InChIKeyZPOKKWXFJHTILP-UHFFFAOYSA-N
XLogP2.35
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 45243997
N-[(2-hydroxyphenyl)methyl]-2-phenoxypropanamide
CID 60607631
2-(methylamino)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 120703672
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
(2R)-N-[(2-methylphenyl)methyl]-2-phenoxypropanamide
CID 41013253
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
methyl N-[4-[(2-pyrazol-1-yl-3-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 55799910
2-[4-(aminomethyl)phenyl]-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 166337815
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxypropanamide
CID 121072324

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide (CID 46431766) is 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide is CC(Oc1ccccc1)C(=O)NCc1cccnc1-n1cccn1.
What is the InChIKey of 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is ZPOKKWXFJHTILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-14(24-16-8-3-2-4-9-16)18(23)20-13-15-7-5-10-19-17(15)22-12-6-11-21-22/h2-12,14H,13H2,1H3,(H,20,23).
What are the key properties of 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 46431766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).