N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C17H29Cl2N3O2 — CID 119872216

IUPACN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ncccc1OCC1CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13(11-18-2)17(21)20-16-15(9-6-10-19-16)22-12-14-7-4-3-5-8-14;;/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3,(H,19,20,21);2*1H
InChIKeyPJXUJKOUTIIMRZ-UHFFFAOYSA-N
MW378.34 g/mol
LogP3.68
Rot. Bonds7

About N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119872216) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119872216
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC NameN-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ncccc1OCC1CCCCC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-13(11-18-2)17(21)20-16-15(9-6-10-19-16)22-12-14-7-4-3-5-8-14;;/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3,(H,19,20,21);2*1H
InChIKeyPJXUJKOUTIIMRZ-UHFFFAOYSA-N
XLogP3.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119872216) is N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ncccc1OCC1CCCCC1.Cl.Cl.
What is the InChIKey of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is PJXUJKOUTIIMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-13(11-18-2)17(21)20-16-15(9-6-10-19-16)22-12-14-7-4-3-5-8-14;;/h6,9-10,13-14,18H,3-5,7-8,11-12H2,1-2H3,(H,19,20,21);2*1H.
What are the key properties of N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethoxy)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119872216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).