2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide

C21H21N3O3 — CID 70831046

IUPAC2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESNc1nc(CCO)ccc1C(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21N3O3/c22-20-19(11-8-16(24-20)12-13-25)21(26)23-14-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,25H,12-14H2,(H2,22,24)(H,23,26)
InChIKeyFRAMPOSEFXHBPC-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.92
Rot. Bonds7

About 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide

2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 70831046) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID70831046
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
SMILESNc1nc(CCO)ccc1C(=O)NCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H21N3O3/c22-20-19(11-8-16(24-20)12-13-25)21(26)23-14-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,25H,12-14H2,(H2,22,24)(H,23,26)
InChIKeyFRAMPOSEFXHBPC-UHFFFAOYSA-N
XLogP2.92
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(methoxymethyl)-N-[[4-(4-methoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66844101
6-amino-2-chloro-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 58104369
2-amino-6-fluoro-N-[[4-(3-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 58104423
2-amino-N-[[4-(3-butylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843672
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-amino-6-fluoro-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 58104478
2-amino-N-[[4-(2-chlorophenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843564
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-N-[[4-(2-ethylphenoxy)phenyl]methyl]-6-fluoropyridine-3-carboxamide
CID 66843843
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
2-amino-N-[[4-[2-(2,2-dimethylpropyl)phenoxy]phenyl]methyl]-6-(methoxymethyl)pyridine-3-carboxamide
CID 66843441

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide (CID 70831046) is 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide is Nc1nc(CCO)ccc1C(=O)NCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is FRAMPOSEFXHBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c22-20-19(11-8-16(24-20)12-13-25)21(26)23-14-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-11,25H,12-14H2,(H2,22,24)(H,23,26).
What are the key properties of 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide?
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70831046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).