N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine

C19H21ClN6 — CID 5330389

IUPACN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25)
InChIKeyXTEWWTLBXKFYCF-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.91
Rot. Bonds7

About N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 5330389) has the molecular formula C19H21ClN6 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID5330389
Molecular FormulaC19H21ClN6
Molecular Weight368.87 g/mol
Exact Mass368.15
IUPAC NameN-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25)
InChIKeyXTEWWTLBXKFYCF-UHFFFAOYSA-N
XLogP3.91
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 5330389) is N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1.
What is the InChIKey of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XTEWWTLBXKFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6/c1-26(2)7-6-23-17-8-14(10-21-11-17)18-12-22-13-19(25-18)24-16-5-3-4-15(20)9-16/h3-5,8-13,23H,6-7H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 368.87 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 5330389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).