N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide

C22H28N6O2 — CID 69440503

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide
SMILESCOc1ccc(CN(CCN(C)C)c2ccccn2)cc1.NC(=O)c1cnccn1
InChIInChI=1S/C17H23N3O.C5H5N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;6-5(9)4-3-7-1-2-8-4/h4-11H,12-14H2,1-3H3;1-3H,(H2,6,9)
InChIKeyJTTNLVDHHFEETM-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.23
Rot. Bonds8

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide (PubChem CID 69440503) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide
PubChem CID69440503
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide
SMILESCOc1ccc(CN(CCN(C)C)c2ccccn2)cc1.NC(=O)c1cnccn1
InChIInChI=1S/C17H23N3O.C5H5N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;6-5(9)4-3-7-1-2-8-4/h4-11H,12-14H2,1-3H3;1-3H,(H2,6,9)
InChIKeyJTTNLVDHHFEETM-UHFFFAOYSA-N
XLogP2.23
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 175520241
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N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
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N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
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CID 174606315
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CID 124947723
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
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N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
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N-[2-(dimethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide (CID 69440503) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide is COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.NC(=O)c1cnccn1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide?
The InChIKey is JTTNLVDHHFEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C5H5N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;6-5(9)4-3-7-1-2-8-4/h4-11H,12-14H2,1-3H3;1-3H,(H2,6,9).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;pyrazine-2-carboxamide is sourced from PubChem (CID 69440503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).