7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride

C14H25Cl2N3O — CID 119842426

IUPAC7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCc1cccnc1
InChIInChI=1S/C14H23N3O.2ClH/c15-9-4-2-1-3-7-14(18)17-11-8-13-6-5-10-16-12-13;;/h5-6,10,12H,1-4,7-9,11,15H2,(H,17,18);2*1H
InChIKeyLMAJTKVQYDAPBB-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.49
Rot. Bonds9

About 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride

7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride (PubChem CID 119842426) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
PubChem CID119842426
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCc1cccnc1
InChIInChI=1S/C14H23N3O.2ClH/c15-9-4-2-1-3-7-14(18)17-11-8-13-6-5-10-16-12-13;;/h5-6,10,12H,1-4,7-9,11,15H2,(H,17,18);2*1H
InChIKeyLMAJTKVQYDAPBB-UHFFFAOYSA-N
XLogP2.49
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
N-[2-(2-hydroxyphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110614904
N-[2-(3-chlorophenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110416616
methyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 115174685
ethyl 4-oxo-4-(2-pyridin-3-ylethylamino)butanoate
CID 60730072
7-amino-N-(2-naphthalen-2-ylethyl)heptanamide;hydrochloride
CID 119732863
4-amino-3-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 81075299
N-[3-(dimethylamino)propyl]-4-pyridin-3-ylbutanamide
CID 110408294
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]dodecanediamide
CID 56967020
N-(6-aminohexyl)-N'-[2-(4-hydroxyphenyl)ethyl]hexanediamide
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2-(2-aminophenyl)-N-(2-pyridin-3-ylethyl)acetamide
CID 60895368

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride (CID 119842426) is 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCCc1cccnc1.
What is the InChIKey of 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride?
The InChIKey is LMAJTKVQYDAPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c15-9-4-2-1-3-7-14(18)17-11-8-13-6-5-10-16-12-13;;/h5-6,10,12H,1-4,7-9,11,15H2,(H,17,18);2*1H.
What are the key properties of 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride?
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride is sourced from PubChem (CID 119842426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).