N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

C16H25N3O3 — CID 75367111

IUPACN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O
InChIInChI=1S/C16H25N3O3/c1-16(2,3)10-19-12-9-22-13(14(12)20)8-18-15(21)11-4-6-17-7-5-11/h4-7,12-14,19-20H,8-10H2,1-3H3,(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyHMRRVJOEUHHCAB-MCIONIFRSA-N
MW307.39 g/mol
LogP0.58
Rot. Bonds5

About N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide

N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 75367111) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
PubChem CID75367111
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide
SMILESCC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O
InChIInChI=1S/C16H25N3O3/c1-16(2,3)10-19-12-9-22-13(14(12)20)8-18-15(21)11-4-6-17-7-5-11/h4-7,12-14,19-20H,8-10H2,1-3H3,(H,18,21)/t12-,13-,14+/m1/s1
InChIKeyHMRRVJOEUHHCAB-MCIONIFRSA-N
XLogP0.58
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-Hydroxyethylisonicotinamide
CID 73327
N-(3-isopropoxypropyl)isonicotinamide
CID 2225158
5'-Deoxy-5'-[(Pyridin-4-Ylcarbonyl)amino]cytidine
CID 44251529
US10214537, Example 149
CID 132220329
4-Pyridinecarboxylic acid, 2-(2-(acetylamino)-2-deoxy-D-glucopyranosyl)hydrazide
CID 3041044
N-[(2R)-1-hydroxybutan-2-yl]pyridine-4-carboxamide
CID 1539998
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-methylpyridin-1-ium-3-carboxamide
CID 16678199
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-ethylpyridin-1-ium-3-carboxamide
CID 16678200
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-prop-2-enylpyridin-1-ium-3-carboxamide
CID 16678201
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide
CID 24750356
N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 45814386
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]pyridine-4-carboxamide
CID 45881832

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide (CID 75367111) is N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)c2ccncc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is HMRRVJOEUHHCAB-MCIONIFRSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(2,3)10-19-12-9-22-13(14(12)20)8-18-15(21)11-4-6-17-7-5-11/h4-7,12-14,19-20H,8-10H2,1-3H3,(H,18,21)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide?
N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-(2,2-dimethylpropylamino)-3-hydroxyoxolan-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 75367111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).