N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine

C22H32N4 — CID 143580268

IUPACN,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(C)cc1N(C)C(C)C
InChIInChI=1S/C22H32N4/c1-13(2)18-11-10-17(22(23-8)24-18)21-16(7)12-19(26(9)15(5)6)20(25-21)14(3)4/h10-13,15H,3H2,1-2,4-9H3,(H,23,24)
InChIKeyGUYDMFTUTWPZCM-UHFFFAOYSA-N
MW352.53 g/mol
LogP5.49
Rot. Bonds6

About N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine

N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine (PubChem CID 143580268) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine
PubChem CID143580268
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC NameN,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine
SMILESC=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(C)cc1N(C)C(C)C
InChIInChI=1S/C22H32N4/c1-13(2)18-11-10-17(22(23-8)24-18)21-16(7)12-19(26(9)15(5)6)20(25-21)14(3)4/h10-13,15H,3H2,1-2,4-9H3,(H,23,24)
InChIKeyGUYDMFTUTWPZCM-UHFFFAOYSA-N
XLogP5.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.53
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine?
The IUPAC name of N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine (CID 143580268) is N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine.
What is the SMILES notation for N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine?
The canonical SMILES for N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine is C=C(C)c1nc(-c2ccc(C(C)C)nc2NC)c(C)cc1N(C)C(C)C.
What is the InChIKey of N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine?
The InChIKey is GUYDMFTUTWPZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-13(2)18-11-10-17(22(23-8)24-18)21-16(7)12-19(26(9)15(5)6)20(25-21)14(3)4/h10-13,15H,3H2,1-2,4-9H3,(H,23,24).
What are the key properties of N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine?
N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine has a molecular weight of 352.53 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-[2-(methylamino)-6-propan-2-yl-3-pyridinyl]-N-propan-2-yl-2-prop-1-en-2-ylpyridin-3-amine is sourced from PubChem (CID 143580268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).