4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride

C15H22Cl3N7O — CID 67371252

IUPAC4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cnc(Nc2cnccn2)cc1NC1CCNCC1
InChIInChI=1S/C15H19N7O.3ClH/c16-15(23)11-8-20-13(22-14-9-18-5-6-19-14)7-12(11)21-10-1-3-17-4-2-10;;;/h5-10,17H,1-4H2,(H2,16,23)(H2,19,20,21,22);3*1H
InChIKeyACJVRNSUINEJKS-UHFFFAOYSA-N
MW422.75 g/mol
LogP2.14
Rot. Bonds5

About 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride

4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride (PubChem CID 67371252) has the molecular formula C15H22Cl3N7O and a molecular weight of 422.75 g/mol. Its IUPAC name is 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride.

Molecular Properties

Compound Name4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
PubChem CID67371252
Molecular FormulaC15H22Cl3N7O
Molecular Weight422.75 g/mol
Exact Mass421.10
IUPAC Name4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
SMILESCl.Cl.Cl.NC(=O)c1cnc(Nc2cnccn2)cc1NC1CCNCC1
InChIInChI=1S/C15H19N7O.3ClH/c16-15(23)11-8-20-13(22-14-9-18-5-6-19-14)7-12(11)21-10-1-3-17-4-2-10;;;/h5-10,17H,1-4H2,(H2,16,23)(H2,19,20,21,22);3*1H
InChIKeyACJVRNSUINEJKS-UHFFFAOYSA-N
XLogP2.14
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.75
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride?
The IUPAC name of 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride (CID 67371252) is 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride.
What is the SMILES notation for 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride?
The canonical SMILES for 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride is Cl.Cl.Cl.NC(=O)c1cnc(Nc2cnccn2)cc1NC1CCNCC1.
What is the InChIKey of 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride?
The InChIKey is ACJVRNSUINEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O.3ClH/c16-15(23)11-8-20-13(22-14-9-18-5-6-19-14)7-12(11)21-10-1-3-17-4-2-10;;;/h5-10,17H,1-4H2,(H2,16,23)(H2,19,20,21,22);3*1H.
What are the key properties of 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride?
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride has a molecular weight of 422.75 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride is sourced from PubChem (CID 67371252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).