6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

C25H29N5O — CID 92610436

IUPAC6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc(C2CCN(C/C=C/c3ccccc3OC)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H29N5O/c1-26-24-17-22(28-25(29-24)21-8-5-13-27-18-21)19-11-15-30(16-12-19)14-6-9-20-7-3-4-10-23(20)31-2/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,26,28,29)/b9-6+
InChIKeyFZJPORNRRPPTCW-RMKNXTFCSA-N
MW415.54 g/mol
LogP4.48
Rot. Bonds7

About 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine

6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 92610436) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID92610436
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCNc1cc(C2CCN(C/C=C/c3ccccc3OC)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C25H29N5O/c1-26-24-17-22(28-25(29-24)21-8-5-13-27-18-21)19-11-15-30(16-12-19)14-6-9-20-7-3-4-10-23(20)31-2/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,26,28,29)/b9-6+
InChIKeyFZJPORNRRPPTCW-RMKNXTFCSA-N
XLogP4.48
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 92610436) is 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is CNc1cc(C2CCN(C/C=C/c3ccccc3OC)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is FZJPORNRRPPTCW-RMKNXTFCSA-N. The full InChI is InChI=1S/C25H29N5O/c1-26-24-17-22(28-25(29-24)21-8-5-13-27-18-21)19-11-15-30(16-12-19)14-6-9-20-7-3-4-10-23(20)31-2/h3-10,13,17-19H,11-12,14-16H2,1-2H3,(H,26,28,29)/b9-6+.
What are the key properties of 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine?
6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 415.54 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-N-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 92610436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).