5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride

C11H17Cl2N3O — CID 178024402

IUPAC5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
SMILESC[C@H](N)C/C=C/c1cncc(C(N)=O)c1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8(12)3-2-4-9-5-10(11(13)15)7-14-6-9;;/h2,4-8H,3,12H2,1H3,(H2,13,15);2*1H/b4-2+;;/t8-;;/m0../s1
InChIKeyQHYKLMONAIDGJV-GGTGHYMCSA-N
MW278.18 g/mol
LogP1.77
Rot. Bonds4

About 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride

5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 178024402) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID178024402
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
SMILESC[C@H](N)C/C=C/c1cncc(C(N)=O)c1.Cl.Cl
InChIInChI=1S/C11H15N3O.2ClH/c1-8(12)3-2-4-9-5-10(11(13)15)7-14-6-9;;/h2,4-8H,3,12H2,1H3,(H2,13,15);2*1H/b4-2+;;/t8-;;/m0../s1
InChIKeyQHYKLMONAIDGJV-GGTGHYMCSA-N
XLogP1.77
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotinamide
CID 936
N,N-Diethylnicotinamide
CID 5497
Nicotinohydroxamic acid
CID 71211
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
Nicotinamide N-oxide
CID 72661
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
N-(Hydroxymethyl)nicotinamide
CID 77116
5-Bromonicotinamide
CID 1808
Nicotinic acid, hydrazide
CID 11112
3-Carbamyl-1-methylpyridinium Chloride
CID 70495

Frequently Asked Questions

What is the IUPAC name of 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride (CID 178024402) is 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride is C[C@H](N)C/C=C/c1cncc(C(N)=O)c1.Cl.Cl.
What is the InChIKey of 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QHYKLMONAIDGJV-GGTGHYMCSA-N. The full InChI is InChI=1S/C11H15N3O.2ClH/c1-8(12)3-2-4-9-5-10(11(13)15)7-14-6-9;;/h2,4-8H,3,12H2,1H3,(H2,13,15);2*1H/b4-2+;;/t8-;;/m0../s1.
What are the key properties of 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride?
5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 278.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 178024402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).