5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)

C24H20ClCuN4O+ — CID 169211481

IUPAC5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)
SMILESCOc1ccc2cc(C#N)ccc2c1N(Cc1ccccn1)Cc1ccccn1.Cl[Cu+]
InChIInChI=1S/C24H20N4O.ClH.Cu/c1-29-23-11-9-19-14-18(15-25)8-10-22(19)24(23)28(16-20-6-2-4-12-26-20)17-21-7-3-5-13-27-21;;/h2-14H,16-17H2,1H3;1H;/q;;+2/p-1
InChIKeyZNNNAJBHALUJTA-UHFFFAOYSA-M
MW479.45 g/mol
LogP5.40
Rot. Bonds6

About 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)

5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+) (PubChem CID 169211481) has the molecular formula C24H20ClCuN4O+ and a molecular weight of 479.45 g/mol. Its IUPAC name is 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+).

Molecular Properties

Compound Name5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)
PubChem CID169211481
Molecular FormulaC24H20ClCuN4O+
Molecular Weight479.45 g/mol
Exact Mass478.06
IUPAC Name5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)
SMILESCOc1ccc2cc(C#N)ccc2c1N(Cc1ccccn1)Cc1ccccn1.Cl[Cu+]
InChIInChI=1S/C24H20N4O.ClH.Cu/c1-29-23-11-9-19-14-18(15-25)8-10-22(19)24(23)28(16-20-6-2-4-12-26-20)17-21-7-3-5-13-27-21;;/h2-14H,16-17H2,1H3;1H;/q;;+2/p-1
InChIKeyZNNNAJBHALUJTA-UHFFFAOYSA-M
XLogP5.40
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
5-methoxynaphthalene-2-carbonitrile
CID 22243517
2-[ethyl(pyridin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107544863
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103468799
3-(pyridin-2-ylmethoxy)benzonitrile
CID 24695986
4-[2-(chloromethyl)prop-2-enoxy]-3-methoxybenzonitrile
CID 103065911
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031
2-[(3,4,5-trimethoxyphenoxy)methyl]pyridine
CID 121304269
2-[[4-(chloromethyl)-2,6-dimethoxyphenoxy]methyl]pyridine
CID 43516782
4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685

Frequently Asked Questions

What is the IUPAC name of 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)?
The IUPAC name of 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+) (CID 169211481) is 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+).
What is the SMILES notation for 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)?
The canonical SMILES for 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+) is COc1ccc2cc(C#N)ccc2c1N(Cc1ccccn1)Cc1ccccn1.Cl[Cu+].
What is the InChIKey of 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)?
The InChIKey is ZNNNAJBHALUJTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H20N4O.ClH.Cu/c1-29-23-11-9-19-14-18(15-25)8-10-22(19)24(23)28(16-20-6-2-4-12-26-20)17-21-7-3-5-13-27-21;;/h2-14H,16-17H2,1H3;1H;/q;;+2/p-1.
What are the key properties of 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+)?
5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+) has a molecular weight of 479.45 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(pyridin-2-ylmethyl)amino]-6-methoxynaphthalene-2-carbonitrile;chlorocopper(1+) is sourced from PubChem (CID 169211481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).