3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride

C11H19Cl2N3O2 — CID 142243658

IUPAC3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(NCCCO)c1cnccc1C(N)=O.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-8(14-4-2-6-15)10-7-13-5-3-9(10)11(12)16;;/h3,5,7-8,14-15H,2,4,6H2,1H3,(H2,12,16);2*1H
InChIKeyFWNBJUOBOWQHJE-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.06
Rot. Bonds6

About 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride

3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 142243658) has the molecular formula C11H19Cl2N3O2 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID142243658
Molecular FormulaC11H19Cl2N3O2
Molecular Weight296.20 g/mol
Exact Mass295.09
IUPAC Name3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(NCCCO)c1cnccc1C(N)=O.Cl.Cl
InChIInChI=1S/C11H17N3O2.2ClH/c1-8(14-4-2-6-15)10-7-13-5-3-9(10)11(12)16;;/h3,5,7-8,14-15H,2,4,6H2,1H3,(H2,12,16);2*1H
InChIKeyFWNBJUOBOWQHJE-UHFFFAOYSA-N
XLogP1.06
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methyl-3-pyridinyl)ethylamino]propan-1-ol
CID 115888360
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
3-[2,2,2-trichloro-1-(2-phenylethylamino)ethyl]pyridine-4-carboxamide
CID 70474089
N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
3-(2-hydroxypropyl)pyridine-4-carboxamide
CID 174772458
6-[[(1R)-1-pyridin-4-ylethyl]amino]hexan-1-ol
CID 107703538
5-[[(1S)-1-pyridin-4-ylethyl]amino]pentan-1-ol
CID 81410455
4-[1-(2-hydroxyphenyl)ethylamino]butanamide
CID 60863382
3-(methylaminosulfanyl)pyridine-4-carboxamide
CID 155744567
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride (CID 142243658) is 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride is CC(NCCCO)c1cnccc1C(N)=O.Cl.Cl.
What is the InChIKey of 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is FWNBJUOBOWQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2.2ClH/c1-8(14-4-2-6-15)10-7-13-5-3-9(10)11(12)16;;/h3,5,7-8,14-15H,2,4,6H2,1H3,(H2,12,16);2*1H.
What are the key properties of 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride?
3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 296.20 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 142243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).