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

C18H21N5O2 — CID 97364562

IUPACN-[(4aS,8R,8aS)-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1ccncc1
InChIInChI=1S/C18H21N5O2/c24-17(13-4-8-19-9-5-13)22-15-12-23(18-20-6-2-7-21-18)11-14-3-1-10-25-16(14)15/h2,4-9,14-16H,1,3,10-12H2,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyVFVUQEYNFHKZIK-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-4-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-4-carboxamide (PubChem CID 97364562) 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-4-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-4-carboxamide
PubChem CID97364562
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-4-carboxamide
SMILESO=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1ccncc1
InChIInChI=1S/C18H21N5O2/c24-17(13-4-8-19-9-5-13)22-15-12-23(18-20-6-2-7-21-18)11-14-3-1-10-25-16(14)15/h2,4-9,14-16H,1,3,10-12H2,(H,22,24)/t14-,15+,16-/m0/s1
InChIKeyVFVUQEYNFHKZIK-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-4-carboxamide with MolForge

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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-4-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-4-carboxamide (CID 97364562) 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-4-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-4-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-4-carboxamide is O=C(N[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@@H]21)c1ccncc1.
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-4-carboxamide?
The InChIKey is VFVUQEYNFHKZIK-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(13-4-8-19-9-5-13)22-15-12-23(18-20-6-2-7-21-18)11-14-3-1-10-25-16(14)15/h2,4-9,14-16H,1,3,10-12H2,(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-4-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-4-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-4-carboxamide is sourced from PubChem (CID 97364562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).