2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride

C11H18Cl2N4O — CID 155943283

IUPAC2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1N1CCCNCC1
InChIInChI=1S/C11H16N4O.2ClH/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15;;/h1,3,5,13H,2,4,6-8H2,(H2,12,16);2*1H
InChIKeyPWOPXNVWQFJYJM-UHFFFAOYSA-N
MW293.20 g/mol
LogP0.82
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride

2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 155943283) has the molecular formula C11H18Cl2N4O and a molecular weight of 293.20 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID155943283
Molecular FormulaC11H18Cl2N4O
Molecular Weight293.20 g/mol
Exact Mass292.09
IUPAC Name2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccnc1N1CCCNCC1
InChIInChI=1S/C11H16N4O.2ClH/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15;;/h1,3,5,13H,2,4,6-8H2,(H2,12,16);2*1H
InChIKeyPWOPXNVWQFJYJM-UHFFFAOYSA-N
XLogP0.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 16793315
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
[2-(1,4-diazepan-1-yl)-3-pyridinyl]methanamine
CID 170875415
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-[4-(4-aminobutanoyl)piperazin-1-yl]pyridine-3-carboxamide;dihydrochloride
CID 119850254
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
N-piperidin-3-yl-2-pyrrolidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119427810
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
ethyl 4-oxo-4-(2-piperazin-1-yl-3-pyridinyl)butanoate
CID 59511269
2-piperidin-1-yl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426882
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
4-(1,4-diazepan-1-yl)benzamide;hydrochloride
CID 68552362

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 155943283) is 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1cccnc1N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is PWOPXNVWQFJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.2ClH/c12-10(16)9-3-1-5-14-11(9)15-7-2-4-13-6-8-15;;/h1,3,5,13H,2,4,6-8H2,(H2,12,16);2*1H.
What are the key properties of 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride?
2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 293.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 155943283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).