2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide

C17H18ClN3O2 — CID 71925015

IUPAC2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)NC1CC1
InChIInChI=1S/C17H18ClN3O2/c1-11(17(22)21-14-3-4-14)20-13-5-7-15(8-6-13)23-16-9-2-12(18)10-19-16/h2,5-11,14,20H,3-4H2,1H3,(H,21,22)
InChIKeyZIPRTAYEDYWHNB-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.61
Rot. Bonds6

About 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide

2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide (PubChem CID 71925015) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
PubChem CID71925015
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)NC1CC1
InChIInChI=1S/C17H18ClN3O2/c1-11(17(22)21-14-3-4-14)20-13-5-7-15(8-6-13)23-16-9-2-12(18)10-19-16/h2,5-11,14,20H,3-4H2,1H3,(H,21,22)
InChIKeyZIPRTAYEDYWHNB-UHFFFAOYSA-N
XLogP3.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate
CID 141431371
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 71994233
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide (CID 71925015) is 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide is CC(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide?
The InChIKey is ZIPRTAYEDYWHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11(17(22)21-14-3-4-14)20-13-5-7-15(8-6-13)23-16-9-2-12(18)10-19-16/h2,5-11,14,20H,3-4H2,1H3,(H,21,22).
What are the key properties of 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide?
2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide has a molecular weight of 331.80 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide is sourced from PubChem (CID 71925015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).