2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile

C26H29N3O3 — CID 155727313

IUPAC2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(C)(C)C#N)c(OC)cn2)cc1
InChIInChI=1S/C26H29N3O3/c1-26(2,18-27)23-14-25(28-15-24(23)32-5)29(16-19-6-10-21(30-3)11-7-19)17-20-8-12-22(31-4)13-9-20/h6-15H,16-17H2,1-5H3
InChIKeyULHNUNRAJYPLGA-UHFFFAOYSA-N
MW431.54 g/mol
LogP5.12
Rot. Bonds9

About 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile

2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile (PubChem CID 155727313) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile
PubChem CID155727313
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(C)(C)C#N)c(OC)cn2)cc1
InChIInChI=1S/C26H29N3O3/c1-26(2,18-27)23-14-25(28-15-24(23)32-5)29(16-19-6-10-21(30-3)11-7-19)17-20-8-12-22(31-4)13-9-20/h6-15H,16-17H2,1-5H3
InChIKeyULHNUNRAJYPLGA-UHFFFAOYSA-N
XLogP5.12
TPSA67.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile
CID 155727734
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
6-bromo-7-fluoro-N,N-bis[(4-methoxyphenyl)methyl]isoquinolin-3-amine
CID 176695054
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-(2-cyanopropan-2-yl)-N-[3-[7-[ethyl-[(4-methoxyphenyl)methyl]amino]-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 167511383
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
CID 133421291
6-[(4-methoxyphenyl)methyl-methylamino]pyrimidine-4-carbonitrile
CID 115142987
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile (CID 155727313) is 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C(C)(C)C#N)c(OC)cn2)cc1.
What is the InChIKey of 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile?
The InChIKey is ULHNUNRAJYPLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-26(2,18-27)23-14-25(28-15-24(23)32-5)29(16-19-6-10-21(30-3)11-7-19)17-20-8-12-22(31-4)13-9-20/h6-15H,16-17H2,1-5H3.
What are the key properties of 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile?
2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile has a molecular weight of 431.54 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-methoxy-4-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 155727313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).