N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide

C16H19N3O2 — CID 81485538

IUPACN-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESNCCOc1cccc(NC(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c17-8-10-21-15-5-1-4-14(11-15)19-16(20)7-6-13-3-2-9-18-12-13/h1-5,9,11-12H,6-8,10,17H2,(H,19,20)
InChIKeyYHHICNBTDGOMFT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.99
Rot. Bonds7

About N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide

N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 81485538) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID81485538
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESNCCOc1cccc(NC(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H19N3O2/c17-8-10-21-15-5-1-4-14(11-15)19-16(20)7-6-13-3-2-9-18-12-13/h1-5,9,11-12H,6-8,10,17H2,(H,19,20)
InChIKeyYHHICNBTDGOMFT-UHFFFAOYSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(2-pyridin-3-ylethoxy)phenyl]furan-2-carboxamide
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N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
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N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
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N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
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N-(3-methoxyphenyl)-3-pyridin-4-ylpropanamide
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N-(3-hydroxyphenyl)-4-pyridin-3-yloxybutanamide
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CID 9206675

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide (CID 81485538) is N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide is NCCOc1cccc(NC(=O)CCc2cccnc2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is YHHICNBTDGOMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-8-10-21-15-5-1-4-14(11-15)19-16(20)7-6-13-3-2-9-18-12-13/h1-5,9,11-12H,6-8,10,17H2,(H,19,20).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide?
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 81485538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).