3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide

C20H20N4O2 — CID 113012923

IUPAC3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C20H20N4O2/c25-20(10-13-26-18-4-2-1-3-5-18)24-17-6-7-19(23-15-17)22-14-16-8-11-21-12-9-16/h1-9,11-12,15H,10,13-14H2,(H,22,23)(H,24,25)
InChIKeyWKJZRWOWQWVWFF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.50
Rot. Bonds8

About 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide

3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide (PubChem CID 113012923) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
PubChem CID113012923
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C20H20N4O2/c25-20(10-13-26-18-4-2-1-3-5-18)24-17-6-7-19(23-15-17)22-14-16-8-11-21-12-9-16/h1-9,11-12,15H,10,13-14H2,(H,22,23)(H,24,25)
InChIKeyWKJZRWOWQWVWFF-UHFFFAOYSA-N
XLogP3.50
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
N-[6-(3-methoxypropylamino)-3-pyridinyl]-3-phenoxypropanamide
CID 113010486
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478
N-(6-bromo-3-pyridinyl)-3-phenoxypropanamide
CID 110605094
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
N-[6-(2,6-diethylanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113017972
4-amino-N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 39187538
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-3-phenoxypropanamide
CID 113025743
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide?
The IUPAC name of 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide (CID 113012923) is 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide is O=C(CCOc1ccccc1)Nc1ccc(NCc2ccncc2)nc1.
What is the InChIKey of 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide?
The InChIKey is WKJZRWOWQWVWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(10-13-26-18-4-2-1-3-5-18)24-17-6-7-19(23-15-17)22-14-16-8-11-21-12-9-16/h1-9,11-12,15H,10,13-14H2,(H,22,23)(H,24,25).
What are the key properties of 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide?
3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113012923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).