N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine

C18H25N3O — CID 139458973

IUPACN-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine
SMILESCOc1ccc(C(C)(C)CC(C)Nc2ccc(C)cn2)cn1
InChIInChI=1S/C18H25N3O/c1-13-6-8-16(19-11-13)21-14(2)10-18(3,4)15-7-9-17(22-5)20-12-15/h6-9,11-12,14H,10H2,1-5H3,(H,19,21)
InChIKeyNTGQLURNMCTIOZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.96
Rot. Bonds6

About N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine

N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine (PubChem CID 139458973) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine
PubChem CID139458973
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine
SMILESCOc1ccc(C(C)(C)CC(C)Nc2ccc(C)cn2)cn1
InChIInChI=1S/C18H25N3O/c1-13-6-8-16(19-11-13)21-14(2)10-18(3,4)15-7-9-17(22-5)20-12-15/h6-9,11-12,14H,10H2,1-5H3,(H,19,21)
InChIKeyNTGQLURNMCTIOZ-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
4-N-(5-tert-butyl-2-pyridinyl)pentane-2,4-diamine
CID 107875701
5-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 64642249
methyl 2-(6-methoxy-3-pyridinyl)-2-methylpropanoate
CID 150017667
5-tert-butyl-N-(5-chloropentan-2-yl)pyridin-2-amine
CID 107875581
N-[1-(4-methoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 66244498
4,6-dimethoxy-N-(4-methyl-4-phenylpentan-2-yl)pyrimidin-2-amine
CID 134709520
N-(4-ethylsulfanylbutan-2-yl)-5-methylpyridin-2-amine
CID 115744764
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
5-tert-butyl-2-(6-methoxy-3-pyridinyl)pyridine
CID 89491323
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 171697744

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine?
The IUPAC name of N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine (CID 139458973) is N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine is COc1ccc(C(C)(C)CC(C)Nc2ccc(C)cn2)cn1.
What is the InChIKey of N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine?
The InChIKey is NTGQLURNMCTIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-6-8-16(19-11-13)21-14(2)10-18(3,4)15-7-9-17(22-5)20-12-15/h6-9,11-12,14H,10H2,1-5H3,(H,19,21).
What are the key properties of N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine?
N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine has a molecular weight of 299.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methoxy-3-pyridinyl)-4-methylpentan-2-yl]-5-methylpyridin-2-amine is sourced from PubChem (CID 139458973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).