N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide

C14H11ClN4O2 — CID 57062019

IUPACN-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1C#N)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-9(21-12-5-3-6-17-11(12)8-16)14(20)19-10-4-2-7-18-13(10)15/h2-7,9H,1H3,(H,19,20)
InChIKeyJTYPSAUELNUZNA-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.41
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide

N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide (PubChem CID 57062019) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide
PubChem CID57062019
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide
SMILESCC(Oc1cccnc1C#N)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H11ClN4O2/c1-9(21-12-5-3-6-17-11(12)8-16)14(20)19-10-4-2-7-18-13(10)15/h2-7,9H,1H3,(H,19,20)
InChIKeyJTYPSAUELNUZNA-UHFFFAOYSA-N
XLogP2.41
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-acetyl-2-methoxyphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 8730513
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
methyl 4-[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]oxy-3-nitrobenzoate
CID 9003328
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938407
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 55418195
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956074
(2R)-N-(2-cyanophenyl)-2-(2-ethoxyphenoxy)propanamide
CID 7613071
[(2S)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384504
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 46620006

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide (CID 57062019) is N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide is CC(Oc1cccnc1C#N)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide?
The InChIKey is JTYPSAUELNUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c1-9(21-12-5-3-6-17-11(12)8-16)14(20)19-10-4-2-7-18-13(10)15/h2-7,9H,1H3,(H,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide?
N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide has a molecular weight of 302.72 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[(2-cyano-3-pyridinyl)oxy]propanamide is sourced from PubChem (CID 57062019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).