N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide

C18H20N2O4 — CID 171556730

IUPACN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23)
InChIKeyGWHWHJXLKSMXDV-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.99
Rot. Bonds4

About N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide

N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide (PubChem CID 171556730) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
PubChem CID171556730
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide
SMILESO=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23)
InChIKeyGWHWHJXLKSMXDV-UHFFFAOYSA-N
XLogP0.99
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dihydroxyoxan-2-yl)methyl]pyridine-3-carboxamide
CID 171557176
N-[(3,4-dihydroxyoxan-2-yl)methyl]pyrimidine-2-carboxamide
CID 171557478
2-[(6-phenylpyridine-3-carbonyl)amino]ethylcarbamic acid
CID 135122283
N-(oxolan-2-ylmethyl)-6-pyridin-2-ylpyridine-3-carboxamide
CID 110681810
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
N-(oxolan-2-ylmethyl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 53149661
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
N-(oxolan-2-ylmethyl)-6-thiophen-2-ylpyridine-3-carboxamide
CID 71830129
N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
1-[(3,4-dihydroxyoxan-2-yl)methyl]-3-propan-2-ylurea
CID 176953237
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide (CID 171556730) is N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide is O=C(NCC1OCCC(O)C1O)c1ccc(-c2ccccc2)nc1.
What is the InChIKey of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is GWHWHJXLKSMXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15-8-9-24-16(17(15)22)11-20-18(23)13-6-7-14(19-10-13)12-4-2-1-3-5-12/h1-7,10,15-17,21-22H,8-9,11H2,(H,20,23).
What are the key properties of N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide?
N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyoxan-2-yl)methyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 171556730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).