N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

C19H27Cl2N3O2 — CID 119569679

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-3-19(4-2,14-20)22-18(23)16-8-5-9-17(11-16)24-13-15-7-6-10-21-12-15;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H
InChIKeyJSFZSYAOCKLNGZ-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.75
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (PubChem CID 119569679) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
PubChem CID119569679
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-3-19(4-2,14-20)22-18(23)16-8-5-9-17(11-16)24-13-15-7-6-10-21-12-15;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H
InChIKeyJSFZSYAOCKLNGZ-UHFFFAOYSA-N
XLogP3.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
CID 63765536
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-methylsulfonyl-3-(pyridin-3-ylmethoxy)benzamide
CID 146154896
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N-[2-(ethylamino)ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 119506040
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N'-(4-bromobenzoyl)-3-(pyridin-3-ylmethoxy)benzohydrazide
CID 78888043
N-(2-hydroxy-2,3-dimethylbutyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 111483720
(3R)-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoic acid
CID 124883319

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride (CID 119569679) is N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is CCC(CC)(CN)NC(=O)c1cccc(OCc2cccnc2)c1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
The InChIKey is JSFZSYAOCKLNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-3-19(4-2,14-20)22-18(23)16-8-5-9-17(11-16)24-13-15-7-6-10-21-12-15;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride is sourced from PubChem (CID 119569679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).