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

C18H21N5O2 — CID 97364559

IUPACN-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1cccnc1
InChIInChI=1S/C18H21N5O2/c24-17(13-4-1-6-19-10-13)22-15-12-23(18-20-7-3-8-21-18)11-14-5-2-9-25-16(14)15/h1,3-4,6-8,10,14-16H,2,5,9,11-12H2,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyGTGGOVFPDVSWQS-XHSDSOJGSA-N
MW339.40 g/mol
LogP1.29
Rot. Bonds3

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

N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide (PubChem CID 97364559) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide
PubChem CID97364559
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1cccnc1
InChIInChI=1S/C18H21N5O2/c24-17(13-4-1-6-19-10-13)22-15-12-23(18-20-7-3-8-21-18)11-14-5-2-9-25-16(14)15/h1,3-4,6-8,10,14-16H,2,5,9,11-12H2,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyGTGGOVFPDVSWQS-XHSDSOJGSA-N
XLogP1.29
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
CID 127021534
N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
CID 133145197
N-[(4aS,8R,8aS)-6-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97364564
N-[(4aS,8R,8aS)-6-ethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridazine-4-carboxamide
CID 97364568
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(4aS,8R,8aS)-6-methylsulfonyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
CID 97364566
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-[(3R,3aR,7aR)-1-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
CID 124521539
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide (CID 97364559) is N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1cccnc1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide?
The InChIKey is GTGGOVFPDVSWQS-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(13-4-1-6-19-10-13)22-15-12-23(18-20-7-3-8-21-18)11-14-5-2-9-25-16(14)15/h1,3-4,6-8,10,14-16H,2,5,9,11-12H2,(H,22,24)/t14-,15+,16-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide?
N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97364559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).