5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

C13H17ClN6O — CID 106283572

IUPAC5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)c2ncn[nH]2)cc1Cl
InChIInChI=1S/C13H17ClN6O/c1-3-4-15-12-10(14)5-9(6-16-12)13(21)19-8(2)11-17-7-18-20-11/h5-8H,3-4H2,1-2H3,(H,15,16)(H,19,21)(H,17,18,20)
InChIKeyPSIWHCCYWNICHH-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.17
Rot. Bonds6

About 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 106283572) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID106283572
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)NC(C)c2ncn[nH]2)cc1Cl
InChIInChI=1S/C13H17ClN6O/c1-3-4-15-12-10(14)5-9(6-16-12)13(21)19-8(2)11-17-7-18-20-11/h5-8H,3-4H2,1-2H3,(H,15,16)(H,19,21)(H,17,18,20)
InChIKeyPSIWHCCYWNICHH-UHFFFAOYSA-N
XLogP2.17
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 106283572) is 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is CCCNc1ncc(C(=O)NC(C)c2ncn[nH]2)cc1Cl.
What is the InChIKey of 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is PSIWHCCYWNICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c1-3-4-15-12-10(14)5-9(6-16-12)13(21)19-8(2)11-17-7-18-20-11/h5-8H,3-4H2,1-2H3,(H,15,16)(H,19,21)(H,17,18,20).
What are the key properties of 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(propylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 106283572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).