N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C18H29Cl2N7O — CID 119846347

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)c1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)cn1.Cl.Cl
InChIInChI=1S/C18H27N7O.2ClH/c1-3-24(4-2)17-6-5-14(11-20-17)12-21-18(26)16-13-25(23-22-16)15-7-9-19-10-8-15;;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3,(H,21,26);2*1H
InChIKeyZJCWVNHAFJPKGG-UHFFFAOYSA-N
MW430.38 g/mol
LogP2.22
Rot. Bonds7

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119846347) has the molecular formula C18H29Cl2N7O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119846347
Molecular FormulaC18H29Cl2N7O
Molecular Weight430.38 g/mol
Exact Mass429.18
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCCN(CC)c1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)cn1.Cl.Cl
InChIInChI=1S/C18H27N7O.2ClH/c1-3-24(4-2)17-6-5-14(11-20-17)12-21-18(26)16-13-25(23-22-16)15-7-9-19-10-8-15;;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3,(H,21,26);2*1H
InChIKeyZJCWVNHAFJPKGG-UHFFFAOYSA-N
XLogP2.22
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119877260
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
CID 119725267
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119889495

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119846347) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CCN(CC)c1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)cn1.Cl.Cl.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is ZJCWVNHAFJPKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O.2ClH/c1-3-24(4-2)17-6-5-14(11-20-17)12-21-18(26)16-13-25(23-22-16)15-7-9-19-10-8-15;;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3,(H,21,26);2*1H.
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 430.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119846347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).