N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide

C19H27N3O2 — CID 97379844

IUPACN-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H27N3O2/c23-18(9-14-5-6-14)21-17-13-22(11-15-3-1-7-20-10-15)12-16-4-2-8-24-19(16)17/h1,3,7,10,14,16-17,19H,2,4-6,8-9,11-13H2,(H,21,23)/t16-,17+,19-/m0/s1
InChIKeyQBJFLXKUKVKURU-SCTDSRPQSA-N
MW329.44 g/mol
LogP1.98
Rot. Bonds5

About N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide

N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (PubChem CID 97379844) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
PubChem CID97379844
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
SMILESO=C(CC1CC1)N[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@@H]21
InChIInChI=1S/C19H27N3O2/c23-18(9-14-5-6-14)21-17-13-22(11-15-3-1-7-20-10-15)12-16-4-2-8-24-19(16)17/h1,3,7,10,14,16-17,19H,2,4-6,8-9,11-13H2,(H,21,23)/t16-,17+,19-/m0/s1
InChIKeyQBJFLXKUKVKURU-SCTDSRPQSA-N
XLogP1.98
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide with MolForge

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Related Compounds

1-(2-Methyl-butylcarbamoyl)-piperidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
CID 44365238
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)cyclohexanecarboxamide
CID 3245514
N-(cyclohex-1-en-1-ylmethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56755952
4-({1-[3-(3-Pyridinyl)propanoyl]-2-piperazinyl}carbonyl)morpholine
CID 56908485
[(4aS,8R,8aS)-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
CID 97364503
[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
CID 97364521
N-[(4aS,8R,8aS)-6-(pyridin-4-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]methanesulfonamide
CID 97364534
N-[(4aS,8R,8aS)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide
CID 97364551
(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365100
(3R,4aR,8aS)-6-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366433
(3R,4aR,8aS)-6-propan-2-yl-N-pyridin-3-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366435
(4R,4aR,8aR)-6-acetyl-N-(2-methyl-3-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367094

Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide (CID 97379844) is N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is O=C(CC1CC1)N[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@@H]21.
What is the InChIKey of N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
The InChIKey is QBJFLXKUKVKURU-SCTDSRPQSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(9-14-5-6-14)21-17-13-22(11-15-3-1-7-20-10-15)12-16-4-2-8-24-19(16)17/h1,3,7,10,14,16-17,19H,2,4-6,8-9,11-13H2,(H,21,23)/t16-,17+,19-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide?
N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide has a molecular weight of 329.44 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-(pyridin-3-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 97379844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).