2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

C13H16ClN5O — CID 106281903

IUPAC2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-3-4-10-5-9(6-11(14)18-10)13(20)17-8(2)12-15-7-16-19-12/h5-8H,3-4H2,1-2H3,(H,17,20)(H,15,16,19)
InChIKeyUKMHYONPMSQSDC-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.30
Rot. Bonds5

About 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide

2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106281903) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
PubChem CID106281903
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC(C)c2ncn[nH]2)cc(Cl)n1
InChIInChI=1S/C13H16ClN5O/c1-3-4-10-5-9(6-11(14)18-10)13(20)17-8(2)12-15-7-16-19-12/h5-8H,3-4H2,1-2H3,(H,17,20)(H,15,16,19)
InChIKeyUKMHYONPMSQSDC-UHFFFAOYSA-N
XLogP2.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide (CID 106281903) is 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is CCCc1cc(C(=O)NC(C)c2ncn[nH]2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is UKMHYONPMSQSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-3-4-10-5-9(6-11(14)18-10)13(20)17-8(2)12-15-7-16-19-12/h5-8H,3-4H2,1-2H3,(H,17,20)(H,15,16,19).
What are the key properties of 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide?
2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 293.76 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106281903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).