3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile

C13H18Cl2N4 — CID 102757278

IUPAC3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
SMILESCCCNc1nc(N(C)CC(C)C#N)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c1-4-5-17-12-10(14)6-11(15)13(18-12)19(3)8-9(2)7-16/h6,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNYGKJRQQPRWUGC-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.81
Rot. Bonds6

About 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile

3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile (PubChem CID 102757278) has the molecular formula C13H18Cl2N4 and a molecular weight of 301.22 g/mol. Its IUPAC name is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
PubChem CID102757278
Molecular FormulaC13H18Cl2N4
Molecular Weight301.22 g/mol
Exact Mass300.09
IUPAC Name3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
SMILESCCCNc1nc(N(C)CC(C)C#N)c(Cl)cc1Cl
InChIInChI=1S/C13H18Cl2N4/c1-4-5-17-12-10(14)6-11(15)13(18-12)19(3)8-9(2)7-16/h6,9H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyNYGKJRQQPRWUGC-UHFFFAOYSA-N
XLogP3.81
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-chloro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810662
3-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811510
3,5-dichloro-6-N-[1-(dimethylamino)propan-2-yl]-2-N-propylpyridine-2,6-diamine
CID 102759419
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 102760077
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102754456
3-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80809891
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 102760184
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
2-methyl-3-[methyl-[5-nitro-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810448
3,5-dichloro-6-N-methyl-6-N-[(5-methylfuran-2-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102756059
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile (CID 102757278) is 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile is CCCNc1nc(N(C)CC(C)C#N)c(Cl)cc1Cl.
What is the InChIKey of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile?
The InChIKey is NYGKJRQQPRWUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N4/c1-4-5-17-12-10(14)6-11(15)13(18-12)19(3)8-9(2)7-16/h6,9H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile?
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile has a molecular weight of 301.22 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 102757278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).