N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride

C14H21Cl2N3O2 — CID 155843708

IUPACN-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CNC[C@@H]2CCCO[C@@H]21)c1ccncc1
InChIInChI=1S/C14H19N3O2.2ClH/c18-14(10-3-5-15-6-4-10)17-12-9-16-8-11-2-1-7-19-13(11)12;;/h3-6,11-13,16H,1-2,7-9H2,(H,17,18);2*1H/t11-,12+,13-;;/m0../s1
InChIKeyTZWDKVXJWYJZHK-IQRIVPSGSA-N
MW334.25 g/mol
LogP1.42
Rot. Bonds2

About N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride

N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 155843708) has the molecular formula C14H21Cl2N3O2 and a molecular weight of 334.25 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
PubChem CID155843708
Molecular FormulaC14H21Cl2N3O2
Molecular Weight334.25 g/mol
Exact Mass333.10
IUPAC NameN-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(N[C@@H]1CNC[C@@H]2CCCO[C@@H]21)c1ccncc1
InChIInChI=1S/C14H19N3O2.2ClH/c18-14(10-3-5-15-6-4-10)17-12-9-16-8-11-2-1-7-19-13(11)12;;/h3-6,11-13,16H,1-2,7-9H2,(H,17,18);2*1H/t11-,12+,13-;;/m0../s1
InChIKeyTZWDKVXJWYJZHK-IQRIVPSGSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride (CID 155843708) is N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(N[C@@H]1CNC[C@@H]2CCCO[C@@H]21)c1ccncc1.
What is the InChIKey of N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is TZWDKVXJWYJZHK-IQRIVPSGSA-N. The full InChI is InChI=1S/C14H19N3O2.2ClH/c18-14(10-3-5-15-6-4-10)17-12-9-16-8-11-2-1-7-19-13(11)12;;/h3-6,11-13,16H,1-2,7-9H2,(H,17,18);2*1H/t11-,12+,13-;;/m0../s1.
What are the key properties of N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride?
N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 334.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridin-8-yl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 155843708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).