4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide

C14H16N4O2 — CID 89129780

IUPAC4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(N)c(N)c2)ccn1
InChIInChI=1S/C14H16N4O2/c1-2-17-14(19)13-8-10(5-6-18-13)20-9-3-4-11(15)12(16)7-9/h3-8H,2,15-16H2,1H3,(H,17,19)
InChIKeyOYWJRHKBBQYRLQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.79
Rot. Bonds4

About 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide

4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide (PubChem CID 89129780) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
PubChem CID89129780
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Oc2ccc(N)c(N)c2)ccn1
InChIInChI=1S/C14H16N4O2/c1-2-17-14(19)13-8-10(5-6-18-13)20-9-3-4-11(15)12(16)7-9/h3-8H,2,15-16H2,1H3,(H,17,19)
InChIKeyOYWJRHKBBQYRLQ-UHFFFAOYSA-N
XLogP1.79
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-2-chlorophenoxy)-N-ethylpyridine-2-carboxamide
CID 43517931
methyl 2-[[4-(4-aminophenoxy)pyridine-2-carbonyl]amino]acetate
CID 59987507
4-(2-bromo-4-methoxyphenoxy)-N-ethylpyridine-2-carboxamide
CID 104707708
4-[4-[[(2,4-dihydroxybenzoyl)amino]carbamoyl]phenoxy]-N-ethylpyridine-2-carboxamide
CID 143062051
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[[2-(ethylcarbamoyl)-1-benzothiophen-6-yl]oxy]-N-methylpyridine-2-carboxamide
CID 56644831
4-(5-bromo-2-methylphenoxy)-N-ethylpyridine-2-carboxamide
CID 107284547
3-[[2-(ethylcarbamoyl)-4-pyridinyl]oxy]pyridine-4-carboxylic acid
CID 81436631
4-(5-bromo-2-fluorophenoxy)-N-ethylpyridine-2-carboxamide
CID 114673379
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide;methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
CID 162090161
4-(4-amino-3-fluorophenoxy)-N-(1,1-dihydroxyethyl)pyridine-2-carboxamide
CID 91282385
methyl 4-(4-amino-3-fluorophenoxy)pyridine-2-carboxylate
CID 23153051

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide (CID 89129780) is 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(Oc2ccc(N)c(N)c2)ccn1.
What is the InChIKey of 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide?
The InChIKey is OYWJRHKBBQYRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-17-14(19)13-8-10(5-6-18-13)20-9-3-4-11(15)12(16)7-9/h3-8H,2,15-16H2,1H3,(H,17,19).
What are the key properties of 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide?
4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-diaminophenoxy)-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 89129780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).