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

C19H28N2O3 — CID 97380946

IUPAC(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)o1
InChIInChI=1S/C19H28N2O3/c1-13-2-5-15(24-13)11-21-8-6-18-17(12-21)16(7-9-23-18)19(22)20-10-14-3-4-14/h2,5,14,16-18H,3-4,6-12H2,1H3,(H,20,22)/t16-,17+,18-/m1/s1
InChIKeyMRKXDPASWVDQGP-FGTMMUONSA-N
MW332.44 g/mol
LogP2.34
Rot. Bonds5

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

(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 97380946) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID97380946
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)o1
InChIInChI=1S/C19H28N2O3/c1-13-2-5-15(24-13)11-21-8-6-18-17(12-21)16(7-9-23-18)19(22)20-10-14-3-4-14/h2,5,14,16-18H,3-4,6-12H2,1H3,(H,20,22)/t16-,17+,18-/m1/s1
InChIKeyMRKXDPASWVDQGP-FGTMMUONSA-N
XLogP2.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-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-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 97380946) is (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-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-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NCC4CC4)[C@@H]3C2)o1.
What is the InChIKey of (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is MRKXDPASWVDQGP-FGTMMUONSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-2-5-15(24-13)11-21-8-6-18-17(12-21)16(7-9-23-18)19(22)20-10-14-3-4-14/h2,5,14,16-18H,3-4,6-12H2,1H3,(H,20,22)/t16-,17+,18-/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(5-methylfuran-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 97380946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).