6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide

C13H19N3O4 — CID 91769238

IUPAC6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCO)cn1
InChIInChI=1S/C13H19N3O4/c14-12-2-1-9(7-15-12)13(18)16-10-8-19-5-3-11(10)20-6-4-17/h1-2,7,10-11,17H,3-6,8H2,(H2,14,15)(H,16,18)/t10-,11+/m1/s1
InChIKeyXIFGWBGZZLIKDI-MNOVXSKESA-N
MW281.31 g/mol
LogP-0.44
Rot. Bonds5

About 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide

6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide (PubChem CID 91769238) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
PubChem CID91769238
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCO)cn1
InChIInChI=1S/C13H19N3O4/c14-12-2-1-9(7-15-12)13(18)16-10-8-19-5-3-11(10)20-6-4-17/h1-2,7,10-11,17H,3-6,8H2,(H2,14,15)(H,16,18)/t10-,11+/m1/s1
InChIKeyXIFGWBGZZLIKDI-MNOVXSKESA-N
XLogP-0.44
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5'-Deoxy-5'-[(Pyridin-4-Ylcarbonyl)amino]cytidine
CID 44251529
6-{[(1r,3r)-3-Hydroxycyclopentyl]amino}pyridine-3-Carboxamide
CID 118796821
3-Methyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 644480
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 649988
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]pyrido[2,3-d]pyrimidin-4-one
CID 44410290
6-morpholin-4-yl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 118736796
N-isopropyl-6-morpholinonicotinamide
CID 3809944
(R)-N-(1-cyanopyrrolidin-3-yl)-6-morpholinonicotinamide
CID 122590746
(6-Aminopyridin-3-yl)(morpholino)methanone
CID 59259223
2-(2-Fluoro-phenylamino)-N-(tetrahydro-furan-2-ylmethyl)-nicotinamide
CID 651193
N-(1-|A-D-Arabinofuranosyl-1,2-dihydro-2-oxo-4-pyrimidinyl)-6-hydrazinyl-3-pyridinecarboxamide
CID 44517770
N-[cis-4-(benzyloxy)tetrahydro-2H-pyran-3-yl]-2-(methylamino)nicotinamide
CID 90652657

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide (CID 91769238) is 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide is Nc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCCO)cn1.
What is the InChIKey of 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide?
The InChIKey is XIFGWBGZZLIKDI-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N3O4/c14-12-2-1-9(7-15-12)13(18)16-10-8-19-5-3-11(10)20-6-4-17/h1-2,7,10-11,17H,3-6,8H2,(H2,14,15)(H,16,18)/t10-,11+/m1/s1.
What are the key properties of 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide?
6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91769238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).