4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide

C15H17N3O2 — CID 59685040

IUPAC4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCN)c2)ccn1
InChIInChI=1S/C15H17N3O2/c1-17-15(19)14-10-13(6-8-18-14)20-12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19)
InChIKeyPRAMNXVXCKTBCT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.73
Rot. Bonds5

About 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide

4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 59685040) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID59685040
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCN)c2)ccn1
InChIInChI=1S/C15H17N3O2/c1-17-15(19)14-10-13(6-8-18-14)20-12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19)
InChIKeyPRAMNXVXCKTBCT-UHFFFAOYSA-N
XLogP1.73
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-[3-(2-aminoethyl)-5-(trifluoromethyl)anilino]-3-oxopropyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 58674619
4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 25052237
N-methyl-4-[3-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050084
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 89291718
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
methyl 4-[3-(aminomethyl)phenoxy]pyridine-2-carboxylate
CID 106485855
CID 87621408
CID 87621408
4-[3-[(E)-3-[3-(2-aminoethyl)-5-(trifluoromethyl)anilino]-3-oxoprop-1-enyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11720013

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide (CID 59685040) is 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(CCN)c2)ccn1.
What is the InChIKey of 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is PRAMNXVXCKTBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-17-15(19)14-10-13(6-8-18-14)20-12-4-2-3-11(9-12)5-7-16/h2-4,6,8-10H,5,7,16H2,1H3,(H,17,19).
What are the key properties of 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59685040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).