3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide

C17H19N3O3 — CID 154802149

IUPAC3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
SMILESNc1c(C(=O)NCC2(O)CCOC2)ccnc1-c1ccccc1
InChIInChI=1S/C17H19N3O3/c18-14-13(16(21)20-10-17(22)7-9-23-11-17)6-8-19-15(14)12-4-2-1-3-5-12/h1-6,8,22H,7,9-11,18H2,(H,20,21)
InChIKeyOWKSAQPIGUJQHM-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide (PubChem CID 154802149) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
PubChem CID154802149
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide
SMILESNc1c(C(=O)NCC2(O)CCOC2)ccnc1-c1ccccc1
InChIInChI=1S/C17H19N3O3/c18-14-13(16(21)20-10-17(22)7-9-23-11-17)6-8-19-15(14)12-4-2-1-3-5-12/h1-6,8,22H,7,9-11,18H2,(H,20,21)
InChIKeyOWKSAQPIGUJQHM-UHFFFAOYSA-N
XLogP1.21
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 106101486
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 113337975
1-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-3-phenylurea
CID 129397628
N-[(3-hydroxyoxolan-3-yl)methyl]-2-prop-2-enoxybenzamide
CID 103849206
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide (CID 154802149) is 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide is Nc1c(C(=O)NCC2(O)CCOC2)ccnc1-c1ccccc1.
What is the InChIKey of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide?
The InChIKey is OWKSAQPIGUJQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c18-14-13(16(21)20-10-17(22)7-9-23-11-17)6-8-19-15(14)12-4-2-1-3-5-12/h1-6,8,22H,7,9-11,18H2,(H,20,21).
What are the key properties of 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide?
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-phenylpyridine-4-carboxamide is sourced from PubChem (CID 154802149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).