(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

C17H24N4O3 — CID 97367060

IUPAC(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCOc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)ncn1
InChIInChI=1S/C17H24N4O3/c1-23-16-8-15(18-10-19-16)21-6-4-14-13(9-21)12(5-7-24-14)17(22)20-11-2-3-11/h8,10-14H,2-7,9H2,1H3,(H,20,22)/t12-,13+,14-/m1/s1
InChIKeyBKDQGVBJPVYGBC-HZSPNIEDSA-N
MW332.40 g/mol
LogP1.00
Rot. Bonds4

About (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97367060) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97367060
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCOc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)ncn1
InChIInChI=1S/C17H24N4O3/c1-23-16-8-15(18-10-19-16)21-6-4-14-13(9-21)12(5-7-24-14)17(22)20-11-2-3-11/h8,10-14H,2-7,9H2,1H3,(H,20,22)/t12-,13+,14-/m1/s1
InChIKeyBKDQGVBJPVYGBC-HZSPNIEDSA-N
XLogP1.00
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97367060) is (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is COc1cc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)ncn1.
What is the InChIKey of (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is BKDQGVBJPVYGBC-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-23-16-8-15(18-10-19-16)21-6-4-14-13(9-21)12(5-7-24-14)17(22)20-11-2-3-11/h8,10-14H,2-7,9H2,1H3,(H,20,22)/t12-,13+,14-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-cyclopropyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97367060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).