(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

C20H25N3O2 — CID 97366422

IUPAC(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc4ccccc4n3)C[C@H]2C1
InChIInChI=1S/C20H25N3O2/c1-21-20(24)16-10-15-11-23(9-8-19(15)25-13-16)12-17-7-6-14-4-2-3-5-18(14)22-17/h2-7,15-16,19H,8-13H2,1H3,(H,21,24)/t15-,16-,19+/m1/s1
InChIKeyDFBIELVITHRPAP-MDZRGWNJSA-N
MW339.44 g/mol
LogP2.21
Rot. Bonds3

About (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide

(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (PubChem CID 97366422) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
PubChem CID97366422
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
SMILESCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc4ccccc4n3)C[C@H]2C1
InChIInChI=1S/C20H25N3O2/c1-21-20(24)16-10-15-11-23(9-8-19(15)25-13-16)12-17-7-6-14-4-2-3-5-18(14)22-17/h2-7,15-16,19H,8-13H2,1H3,(H,21,24)/t15-,16-,19+/m1/s1
InChIKeyDFBIELVITHRPAP-MDZRGWNJSA-N
XLogP2.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

CID 132497604
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CID 10969739
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CID 145952984
CID 145952984
CID 11131571
CID 11131571
CID 46902352
CID 46902352
CID 118715152
CID 118715152
CID 155563291
CID 155563291
CID 14865769
CID 14865769
CID 146329997
CID 146329997
CID 146330165
CID 146330165
CID 3061396
CID 3061396
CID 3061397
CID 3061397

Frequently Asked Questions

What is the IUPAC name of (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The IUPAC name of (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide (CID 97366422) is (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is CNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccc4ccccc4n3)C[C@H]2C1.
What is the InChIKey of (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
The InChIKey is DFBIELVITHRPAP-MDZRGWNJSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-20(24)16-10-15-11-23(9-8-19(15)25-13-16)12-17-7-6-14-4-2-3-5-18(14)22-17/h2-7,15-16,19H,8-13H2,1H3,(H,21,24)/t15-,16-,19+/m1/s1.
What are the key properties of (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide?
(3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4aR,8aS)-N-methyl-6-(quinolin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 97366422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).