2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

C19H17N5O2 — CID 102556013

IUPAC2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H17N5O2/c1-14(26-17-6-3-2-5-16(17)12-20)19(25)22-13-15-7-9-21-18(11-15)24-10-4-8-23-24/h2-11,14H,13H2,1H3,(H,22,25)
InChIKeyCTOGHMSDDMSVQO-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.22
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide

2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (PubChem CID 102556013) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
PubChem CID102556013
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
SMILESCC(Oc1ccccc1C#N)C(=O)NCc1ccnc(-n2cccn2)c1
InChIInChI=1S/C19H17N5O2/c1-14(26-17-6-3-2-5-16(17)12-20)19(25)22-13-15-7-9-21-18(11-15)24-10-4-8-23-24/h2-11,14H,13H2,1H3,(H,22,25)
InChIKeyCTOGHMSDDMSVQO-UHFFFAOYSA-N
XLogP2.22
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide
CID 55852845
1-(2-methoxyphenyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 38886018
(2S)-2-(dimethylamino)-2-phenyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]acetamide
CID 95165130
2-(2-cyanophenoxy)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]propanamide
CID 55783770
2-(4-cyanophenoxy)-N-[(3-pyrazol-1-ylphenyl)methyl]propanamide
CID 56791885
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
1-[(2-methylphenyl)methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 35651512
2-(2-cyanophenoxy)-N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 115649625
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
2-(2-cyanophenoxy)-3-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 87040479
N-methyl-N-propan-2-yl-4-[[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzamide
CID 55746890
2-(2-cyanophenoxy)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55614028

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide (CID 102556013) is 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is CC(Oc1ccccc1C#N)C(=O)NCc1ccnc(-n2cccn2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
The InChIKey is CTOGHMSDDMSVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-14(26-17-6-3-2-5-16(17)12-20)19(25)22-13-15-7-9-21-18(11-15)24-10-4-8-23-24/h2-11,14H,13H2,1H3,(H,22,25).
What are the key properties of 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide?
2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide has a molecular weight of 347.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 102556013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).