N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride

C16H22Cl2N6O — CID 119516349

IUPACN-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N)nc3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C16H20N6O.2ClH/c1-21-6-8-22(9-7-21)15-10-12(4-5-18-15)16(23)20-13-2-3-14(17)19-11-13;;/h2-5,10-11H,6-9H2,1H3,(H2,17,19)(H,20,23);2*1H
InChIKeySMJMFTSPWQJKSF-UHFFFAOYSA-N
MW385.30 g/mol
LogP1.91
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride

N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride (PubChem CID 119516349) has the molecular formula C16H22Cl2N6O and a molecular weight of 385.30 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
PubChem CID119516349
Molecular FormulaC16H22Cl2N6O
Molecular Weight385.30 g/mol
Exact Mass384.12
IUPAC NameN-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
SMILESCN1CCN(c2cc(C(=O)Nc3ccc(N)nc3)ccn2)CC1.Cl.Cl
InChIInChI=1S/C16H20N6O.2ClH/c1-21-6-8-22(9-7-21)15-10-12(4-5-18-15)16(23)20-13-2-3-14(17)19-11-13;;/h2-5,10-11H,6-9H2,1H3,(H2,17,19)(H,20,23);2*1H
InChIKeySMJMFTSPWQJKSF-UHFFFAOYSA-N
XLogP1.91
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride (CID 119516349) is N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride is CN1CCN(c2cc(C(=O)Nc3ccc(N)nc3)ccn2)CC1.Cl.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
The InChIKey is SMJMFTSPWQJKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.2ClH/c1-21-6-8-22(9-7-21)15-10-12(4-5-18-15)16(23)20-13-2-3-14(17)19-11-13;;/h2-5,10-11H,6-9H2,1H3,(H2,17,19)(H,20,23);2*1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride?
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride has a molecular weight of 385.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119516349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).