N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine

C26H28N4 — CID 46892695

IUPACN-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-9-19(3)29-25(11-17)27-15-21-5-7-24-14-22(6-8-23(24)13-21)16-28-26-12-18(2)10-20(4)30-26/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeySUFCBQGWQZMSJW-UHFFFAOYSA-N
MW396.54 g/mol
LogP6.09
Rot. Bonds6

About N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine

N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine (PubChem CID 46892695) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine
PubChem CID46892695
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC NameN-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1
InChIInChI=1S/C26H28N4/c1-17-9-19(3)29-25(11-17)27-15-21-5-7-24-14-22(6-8-23(24)13-21)16-28-26-12-18(2)10-20(4)30-26/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30)
InChIKeySUFCBQGWQZMSJW-UHFFFAOYSA-N
XLogP6.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?
The IUPAC name of N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine (CID 46892695) is N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?
The canonical SMILES for N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine is Cc1cc(C)nc(NCc2ccc3cc(CNc4cc(C)cc(C)n4)ccc3c2)c1.
What is the InChIKey of N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?
The InChIKey is SUFCBQGWQZMSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-17-9-19(3)29-25(11-17)27-15-21-5-7-24-14-22(6-8-23(24)13-21)16-28-26-12-18(2)10-20(4)30-26/h5-14H,15-16H2,1-4H3,(H,27,29)(H,28,30).
What are the key properties of N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine?
N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine has a molecular weight of 396.54 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[(4,6-dimethyl-2-pyridinyl)amino]methyl]naphthalen-2-yl]methyl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 46892695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).