(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C16H21N3O3 — CID 155876548

IUPAC(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCC(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1
InChIInChI=1S/C16H21N3O3/c1-11(20)19-6-4-15-12(9-19)7-13(10-22-15)16(21)18-14-3-2-5-17-8-14/h2-3,5,8,12-13,15H,4,6-7,9-10H2,1H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyLLWCBDBYVRGFSY-KCQAQPDRSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds2

About (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 155876548) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID155876548
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCC(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1
InChIInChI=1S/C16H21N3O3/c1-11(20)19-6-4-15-12(9-19)7-13(10-22-15)16(21)18-14-3-2-5-17-8-14/h2-3,5,8,12-13,15H,4,6-7,9-10H2,1H3,(H,18,21)/t12-,13-,15+/m0/s1
InChIKeyLLWCBDBYVRGFSY-KCQAQPDRSA-N
XLogP1.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(3S,4aS,8aR)-6-(2-methoxyacetyl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 155879935
4-hydroxy-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 112524091
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
(2R,3aR,7aR)-6-ethyl-N-pyridin-3-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124830487
(3aR,6S,7aR)-4-(cyclopropylmethyl)-N-pyridin-3-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97380448
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51089557
(4R,4aR,8aR)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 131687927
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17118953
(3S,4aS,8aR)-N-pyrazin-2-yl-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124782169
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63788700
trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605

Frequently Asked Questions

What is the IUPAC name of (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 155876548) is (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is CC(=O)N1CC[C@H]2OC[C@@H](C(=O)Nc3cccnc3)C[C@H]2C1.
What is the InChIKey of (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is LLWCBDBYVRGFSY-KCQAQPDRSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(20)19-6-4-15-12(9-19)7-13(10-22-15)16(21)18-14-3-2-5-17-8-14/h2-3,5,8,12-13,15H,4,6-7,9-10H2,1H3,(H,18,21)/t12-,13-,15+/m0/s1.
What are the key properties of (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4aS,8aR)-6-acetyl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155876548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).