N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide

C19H24N4O2 — CID 169411104

IUPACN-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(N2CC[C@@H]3C[C@H](N(C)C(=O)c4ccco4)C[C@@H]3C2)nn1
InChIInChI=1S/C19H24N4O2/c1-13-5-6-18(21-20-13)23-8-7-14-10-16(11-15(14)12-23)22(2)19(24)17-4-3-9-25-17/h3-6,9,14-16H,7-8,10-12H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyLGZHHNYSXITHEA-OAGGEKHMSA-N
MW340.43 g/mol
LogP2.76
Rot. Bonds3

About N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide

N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide (PubChem CID 169411104) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide
PubChem CID169411104
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(N2CC[C@@H]3C[C@H](N(C)C(=O)c4ccco4)C[C@@H]3C2)nn1
InChIInChI=1S/C19H24N4O2/c1-13-5-6-18(21-20-13)23-8-7-14-10-16(11-15(14)12-23)22(2)19(24)17-4-3-9-25-17/h3-6,9,14-16H,7-8,10-12H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyLGZHHNYSXITHEA-OAGGEKHMSA-N
XLogP2.76
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide with MolForge

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Related Compounds

(2S,3aS,7aS)-N,N-dimethyl-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366654
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-N-methylfuran-2-carboxamide
CID 53185697
N-(4-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 115270100
N-(cyclopropylmethyl)-N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 24732101
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-N-methylfuran-2-carboxamide
CID 587722
N-(1,1-dioxothiolan-3-yl)-N-methylfuran-2-carboxamide
CID 2790131
methyl 4-[furan-2-carbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270420
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388445
N-[4-(2-hydroxyethyl)cyclohexyl]-N-methylfuran-2-carboxamide
CID 115270397
[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
(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

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide (CID 169411104) is N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide is Cc1ccc(N2CC[C@@H]3C[C@H](N(C)C(=O)c4ccco4)C[C@@H]3C2)nn1.
What is the InChIKey of N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide?
The InChIKey is LGZHHNYSXITHEA-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-5-6-18(21-20-13)23-8-7-14-10-16(11-15(14)12-23)22(2)19(24)17-4-3-9-25-17/h3-6,9,14-16H,7-8,10-12H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide?
N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6S,7aS)-2-(6-methylpyridazin-3-yl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 169411104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).