N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride

C18H15Cl2N7O — CID 23622400

IUPACN-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1c(-c2ccncc2)nnn1-c1ccncc1)c1ccncc1
InChIInChI=1S/C18H13N7O.2ClH/c26-18(14-3-9-20-10-4-14)22-17-16(13-1-7-19-8-2-13)23-24-25(17)15-5-11-21-12-6-15;;/h1-12H,(H,22,26);2*1H
InChIKeyDMRXRENENAMVTD-UHFFFAOYSA-N
MW416.27 g/mol
LogP3.22
Rot. Bonds4

About N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride

N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 23622400) has the molecular formula C18H15Cl2N7O and a molecular weight of 416.27 g/mol. Its IUPAC name is N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID23622400
Molecular FormulaC18H15Cl2N7O
Molecular Weight416.27 g/mol
Exact Mass415.07
IUPAC NameN-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1c(-c2ccncc2)nnn1-c1ccncc1)c1ccncc1
InChIInChI=1S/C18H13N7O.2ClH/c26-18(14-3-9-20-10-4-14)22-17-16(13-1-7-19-8-2-13)23-24-25(17)15-5-11-21-12-6-15;;/h1-12H,(H,22,26);2*1H
InChIKeyDMRXRENENAMVTD-UHFFFAOYSA-N
XLogP3.22
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 13162137
1-[4-(5-amino-4-pyridin-4-yltriazol-1-yl)phenyl]ethanone
CID 82370009
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
ethyl 5-amino-1-[4-(pyridine-4-carbonylamino)phenyl]triazole-4-carboxylate
CID 17039291
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
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CID 166320523
N-(4-carbamothioyl-1-methylpyrazol-5-yl)pyridine-4-carboxamide
CID 79499854
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
3-(4-fluorophenyl)-5-pyridin-4-yltriazol-4-amine
CID 82370226
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride (CID 23622400) is N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1c(-c2ccncc2)nnn1-c1ccncc1)c1ccncc1.
What is the InChIKey of N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is DMRXRENENAMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N7O.2ClH/c26-18(14-3-9-20-10-4-14)22-17-16(13-1-7-19-8-2-13)23-24-25(17)15-5-11-21-12-6-15;;/h1-12H,(H,22,26);2*1H.
What are the key properties of N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride?
N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 416.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dipyridin-4-yltriazol-4-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 23622400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).