N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride

C14H25Cl2N3O — CID 119569353

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-4-14(5-2,10-15)17-13(18)11(3)12-7-6-8-16-9-12;;/h6-9,11H,4-5,10,15H2,1-3H3,(H,17,18);2*1H
InChIKeyHMNVTLBTMACNKT-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.66
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride (PubChem CID 119569353) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
PubChem CID119569353
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)c1cccnc1.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-4-14(5-2,10-15)17-13(18)11(3)12-7-6-8-16-9-12;;/h6-9,11H,4-5,10,15H2,1-3H3,(H,17,18);2*1H
InChIKeyHMNVTLBTMACNKT-UHFFFAOYSA-N
XLogP2.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119573018
2-pyridin-3-ylpropanehydrazide
CID 116843938
N-[3-(aminomethyl)pentan-3-yl]pyridine-3-carboxamide
CID 63767262
4-methyl-4-(2-pyridin-3-ylpropanoylamino)pentanoic acid
CID 119357185
N-[2-(methylamino)ethyl]-2-pyridin-3-ylpropanamide
CID 119500824
N-(2-amino-2-phenylethyl)-2-pyridin-3-ylpropanamide
CID 119527846
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119571882
N-(piperidin-3-ylmethyl)-2-pyridin-3-ylpropanamide;dihydrochloride
CID 119460803
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
N-(4-aminocyclohexyl)-2-pyridin-3-ylpropanamide
CID 119475339
3-amino-N-methyl-2-pyridin-3-ylpropanamide
CID 119030789
N-[3-(aminomethyl)pentan-3-yl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119569250

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride (CID 119569353) is N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride is CCC(CC)(CN)NC(=O)C(C)c1cccnc1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride?
The InChIKey is HMNVTLBTMACNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-4-14(5-2,10-15)17-13(18)11(3)12-7-6-8-16-9-12;;/h6-9,11H,4-5,10,15H2,1-3H3,(H,17,18);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-pyridin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119569353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).