(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

C17H24N4O2 — CID 97388445

IUPAC(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
SMILESCc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@@H]3C2)nn1
InChIInChI=1S/C17H24N4O2/c1-11-2-5-16(20-19-11)21-7-6-13-8-14(23-15(13)10-21)17(22)18-9-12-3-4-12/h2,5,12-15H,3-4,6-10H2,1H3,(H,18,22)/t13-,14+,15+/m0/s1
InChIKeyYCJXBMUDKAJBTI-RRFJBIMHSA-N
MW316.40 g/mol
LogP1.30
Rot. Bonds4

About (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

(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 (PubChem CID 97388445) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97388445
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(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
SMILESCc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@@H]3C2)nn1
InChIInChI=1S/C17H24N4O2/c1-11-2-5-16(20-19-11)21-7-6-13-8-14(23-15(13)10-21)17(22)18-9-12-3-4-12/h2,5,12-15H,3-4,6-10H2,1H3,(H,18,22)/t13-,14+,15+/m0/s1
InChIKeyYCJXBMUDKAJBTI-RRFJBIMHSA-N
XLogP1.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

(2S,3aS,7aR)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97387862
(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
(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
(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
[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124800228
(2R,3aS,7aS)-N-(oxan-4-ylmethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366487
[(2R,3aS,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831711
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366898
(2S,3aR,7aR)-N-(cyclopropylmethyl)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781304
(2R,3aS,7aR)-N-(cyclopropylmethyl)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366873
(2S,3aR,7aR)-6-(cyclopropylmethyl)-N-(oxan-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124781569
(2S,3aR,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124789049

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(N2CC[C@H]3C[C@H](C(=O)NCC4CC4)O[C@@H]3C2)nn1.
What is the InChIKey of (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?
The InChIKey is YCJXBMUDKAJBTI-RRFJBIMHSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-2-5-16(20-19-11)21-7-6-13-8-14(23-15(13)10-21)17(22)18-9-12-3-4-12/h2,5,12-15H,3-4,6-10H2,1H3,(H,18,22)/t13-,14+,15+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 316.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97388445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).