N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide

C15H17N7O — CID 56918772

IUPACN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C15H17N7O/c23-15(14-10-18-20-19-14)22(11-13-2-4-16-5-3-13)8-1-7-21-9-6-17-12-21/h2-6,9-10,12H,1,7-8,11H2,(H,18,19,20)
InChIKeyDCLIHOSXAIDVQL-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.13
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide

N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 56918772) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID56918772
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(CCCn1ccnc1)Cc1ccncc1
InChIInChI=1S/C15H17N7O/c23-15(14-10-18-20-19-14)22(11-13-2-4-16-5-3-13)8-1-7-21-9-6-17-12-21/h2-6,9-10,12H,1,7-8,11H2,(H,18,19,20)
InChIKeyDCLIHOSXAIDVQL-UHFFFAOYSA-N
XLogP1.13
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 74234527
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)isoquinoline-1-carboxamide
CID 46982202
4-chloro-N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 74250549
4-(hydroxymethyl)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46982431
(3S)-N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 99943887
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813
N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)spiro[2.2]pentane-2-carboxamide
CID 119069459
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
3-imidazol-1-yl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46986157
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457
3-ethyl-1-(3-imidazol-1-ylpropyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42699795
3-imidazol-1-yl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 77094846

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide (CID 56918772) is N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(CCCn1ccnc1)Cc1ccncc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is DCLIHOSXAIDVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15(14-10-18-20-19-14)22(11-13-2-4-16-5-3-13)8-1-7-21-9-6-17-12-21/h2-6,9-10,12H,1,7-8,11H2,(H,18,19,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-N-(pyridin-4-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 56918772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).