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

C19H28N4O2 — CID 97367059

IUPAC(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)nn1
InChIInChI=1S/C19H28N4O2/c1-13-6-7-18(22-21-13)23-10-8-17-16(12-23)15(9-11-25-17)19(24)20-14-4-2-3-5-14/h6-7,14-17H,2-5,8-12H2,1H3,(H,20,24)/t15-,16+,17-/m1/s1
InChIKeyKTLHOXWIXJJHGX-IXDOHACOSA-N
MW344.46 g/mol
LogP2.08
Rot. Bonds3

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

(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97367059) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97367059
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)nn1
InChIInChI=1S/C19H28N4O2/c1-13-6-7-18(22-21-13)23-10-8-17-16(12-23)15(9-11-25-17)19(24)20-14-4-2-3-5-14/h6-7,14-17H,2-5,8-12H2,1H3,(H,20,24)/t15-,16+,17-/m1/s1
InChIKeyKTLHOXWIXJJHGX-IXDOHACOSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(4R,4aS,8aR)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367147
(2S,3aS,7aS)-N-cyclopropyl-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97415842
(4R,4aR,8aR)-N-propan-2-yl-6-pyrimidin-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367013
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
(2S,3aS,7aR)-N-(1-methylpiperidin-4-yl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364906
2-[methyl-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]-N-(oxan-4-yl)acetamide
CID 56802061
1-[7-(6-methylpyridazin-3-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-4-yl]ethanone
CID 131659091
N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53004870
(3S)-N-cyclopentyl-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055740
[4-(6-methylpyridazin-3-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-pyrrolidin-1-ylmethanone
CID 134074395
4-methyl-7-(6-methylpyridazin-3-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 131640274
1-[4-(6-methylpyridazin-3-yl)morpholin-2-yl]ethanamine
CID 115315932

Frequently Asked Questions

What is the IUPAC name of (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97367059) is (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-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-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is Cc1ccc(N2CC[C@H]3OCC[C@@H](C(=O)NC4CCCC4)[C@@H]3C2)nn1.
What is the InChIKey of (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is KTLHOXWIXJJHGX-IXDOHACOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-6-7-18(22-21-13)23-10-8-17-16(12-23)15(9-11-25-17)19(24)20-14-4-2-3-5-14/h6-7,14-17H,2-5,8-12H2,1H3,(H,20,24)/t15-,16+,17-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-cyclopentyl-6-(6-methylpyridazin-3-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97367059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).