3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide

C15H11Cl2N5O — CID 167814570

IUPAC3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H11Cl2N5O/c16-12-6-18-7-13(17)14(12)15(23)20-5-10-1-3-11(4-2-10)22-9-19-8-21-22/h1-4,6-9H,5H2,(H,20,23)
InChIKeySQBYRPMCKRUFFX-UHFFFAOYSA-N
MW348.19 g/mol
LogP2.90
Rot. Bonds4

About 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide

3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 167814570) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID167814570
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(-n2cncn2)cc1)c1c(Cl)cncc1Cl
InChIInChI=1S/C15H11Cl2N5O/c16-12-6-18-7-13(17)14(12)15(23)20-5-10-1-3-11(4-2-10)22-9-19-8-21-22/h1-4,6-9H,5H2,(H,20,23)
InChIKeySQBYRPMCKRUFFX-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732214
3,5-dichloro-N-[[4-(2-hydroxyethyl)phenyl]methyl]pyridine-4-carboxamide
CID 22601457
2-(2,5-dichlorophenyl)sulfanyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 55795750
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 55795529
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878
1-(4-fluorophenyl)-4-methyl-2-oxo-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 172658394
2-ethyl-3-methyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]quinoline-4-carboxamide
CID 71893303
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]indolizine-3-carboxamide
CID 162638492
3-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine-1-carboxamide
CID 110901464
5-ethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 78899603

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide (CID 167814570) is 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(-n2cncn2)cc1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is SQBYRPMCKRUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c16-12-6-18-7-13(17)14(12)15(23)20-5-10-1-3-11(4-2-10)22-9-19-8-21-22/h1-4,6-9H,5H2,(H,20,23).
What are the key properties of 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide?
3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 167814570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).