N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

C14H22Cl2N6O — CID 119665156

IUPACN-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-2-3-4-12(8-15)19-14(21)11-5-6-17-13(7-11)20-10-16-9-18-20;;/h5-7,9-10,12H,2-4,8,15H2,1H3,(H,19,21);2*1H
InChIKeyRCBUDOKCBUSCRK-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.75
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 119665156) has the molecular formula C14H22Cl2N6O and a molecular weight of 361.28 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID119665156
Molecular FormulaC14H22Cl2N6O
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC NameN-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-2-3-4-12(8-15)19-14(21)11-5-6-17-13(7-11)20-10-16-9-18-20;;/h5-7,9-10,12H,2-4,8,15H2,1H3,(H,19,21);2*1H
InChIKeyRCBUDOKCBUSCRK-UHFFFAOYSA-N
XLogP1.75
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2-[(2-pyrazol-1-ylpyridine-4-carbonyl)amino]hexanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride (CID 119665156) is N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1ccnc(-n2cncn2)c1.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is RCBUDOKCBUSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2ClH/c1-2-3-4-12(8-15)19-14(21)11-5-6-17-13(7-11)20-10-16-9-18-20;;/h5-7,9-10,12H,2-4,8,15H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 361.28 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119665156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).