N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride

C14H20Cl2N6O — CID 120577471

IUPACN-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(-n2cncn2)nc1.Cl.Cl
InChIInChI=1S/C14H18N6O.2ClH/c1-10-12(3-2-6-16-10)19-14(21)11-4-5-13(17-7-11)20-9-15-8-18-20;;/h4-5,7-10,12,16H,2-3,6H2,1H3,(H,19,21);2*1H
InChIKeyRYCDPPKZQHSKGD-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.38
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride

N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120577471) has the molecular formula C14H20Cl2N6O and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120577471
Molecular FormulaC14H20Cl2N6O
Molecular Weight359.26 g/mol
Exact Mass358.11
IUPAC NameN-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(-n2cncn2)nc1.Cl.Cl
InChIInChI=1S/C14H18N6O.2ClH/c1-10-12(3-2-6-16-10)19-14(21)11-4-5-13(17-7-11)20-9-15-8-18-20;;/h4-5,7-10,12,16H,2-3,6H2,1H3,(H,19,21);2*1H
InChIKeyRYCDPPKZQHSKGD-UHFFFAOYSA-N
XLogP1.38
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride (CID 120577471) is N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride is CC1NCCCC1NC(=O)c1ccc(-n2cncn2)nc1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is RYCDPPKZQHSKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.2ClH/c1-10-12(3-2-6-16-10)19-14(21)11-4-5-13(17-7-11)20-9-15-8-18-20;;/h4-5,7-10,12,16H,2-3,6H2,1H3,(H,19,21);2*1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride?
N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 359.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120577471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).