N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide

C16H23N3O4 — CID 75536789

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C16H23N3O4/c20-15-13(19-12-3-7-22-8-4-12)10-23-14(15)9-18-16(21)11-1-5-17-6-2-11/h1-2,5-6,12-15,19-20H,3-4,7-10H2,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyPVZHTHHXIIKTCX-KFWWJZLASA-N
MW321.38 g/mol
LogP-0.29
Rot. Bonds5

About N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75536789) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75536789
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1ccncc1
InChIInChI=1S/C16H23N3O4/c20-15-13(19-12-3-7-22-8-4-12)10-23-14(15)9-18-16(21)11-1-5-17-6-2-11/h1-2,5-6,12-15,19-20H,3-4,7-10H2,(H,18,21)/t13-,14-,15+/m1/s1
InChIKeyPVZHTHHXIIKTCX-KFWWJZLASA-N
XLogP-0.29
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[3-hydroxy-4-(oxetan-3-ylamino)oxolan-2-yl]methyl]benzamide
CID 162944114
N-[[(2R,3S,4R)-3-hydroxy-4-(piperidin-4-ylamino)oxolan-2-yl]methyl]benzamide
CID 75536616
N-[[3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162812543
4-[[[(3R,4S,5R)-4-hydroxy-5-[(pyridine-4-carbonylamino)methyl]oxolan-3-yl]amino]methyl]benzoic acid
CID 75536797
N-[[4-[(1-acetylpiperidin-4-yl)amino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 162789752
N-[[3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 162967431
N-[[3-hydroxy-4-[(4-methylsulfonylphenyl)methylamino]oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 162789942
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]pyridine-4-carboxamide
CID 171557636
4-fluoro-N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536640
N-[[(2R,3S,4R)-4-[(4-fluorophenyl)methylamino]-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75536621
N-[[(2R,3S,4R)-4-(benzylamino)-3-hydroxyoxolan-2-yl]methyl]-4-fluorobenzamide
CID 75536639
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]benzamide
CID 75367085

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75536789) is N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)c1ccncc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is PVZHTHHXIIKTCX-KFWWJZLASA-N. The full InChI is InChI=1S/C16H23N3O4/c20-15-13(19-12-3-7-22-8-4-12)10-23-14(15)9-18-16(21)11-1-5-17-6-2-11/h1-2,5-6,12-15,19-20H,3-4,7-10H2,(H,18,21)/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-(oxan-4-ylamino)oxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75536789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).