2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine

C21H27FN4 — CID 170189287

IUPAC2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine
SMILESC=C1C=C(C2CC2)C=CN1/C(=C\C)C1CC=CC(NC2CNCC2F)=N1
InChIInChI=1S/C21H27FN4/c1-3-20(26-10-9-16(11-14(26)2)15-7-8-15)18-5-4-6-21(24-18)25-19-13-23-12-17(19)22/h3-4,6,9-11,15,17-19,23H,2,5,7-8,12-13H2,1H3,(H,24,25)/b20-3-
InChIKeyZSPAEUXOLZNRQA-DYUKFFQPSA-N
MW354.47 g/mol
LogP3.20
Rot. Bonds4

About 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine

2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine (PubChem CID 170189287) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine.

Molecular Properties

Compound Name2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine
PubChem CID170189287
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC Name2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine
SMILESC=C1C=C(C2CC2)C=CN1/C(=C\C)C1CC=CC(NC2CNCC2F)=N1
InChIInChI=1S/C21H27FN4/c1-3-20(26-10-9-16(11-14(26)2)15-7-8-15)18-5-4-6-21(24-18)25-19-13-23-12-17(19)22/h3-4,6,9-11,15,17-19,23H,2,5,7-8,12-13H2,1H3,(H,24,25)/b20-3-
InChIKeyZSPAEUXOLZNRQA-DYUKFFQPSA-N
XLogP3.20
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine?
The IUPAC name of 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine (CID 170189287) is 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine.
What is the SMILES notation for 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine?
The canonical SMILES for 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine is C=C1C=C(C2CC2)C=CN1/C(=C\C)C1CC=CC(NC2CNCC2F)=N1.
What is the InChIKey of 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine?
The InChIKey is ZSPAEUXOLZNRQA-DYUKFFQPSA-N. The full InChI is InChI=1S/C21H27FN4/c1-3-20(26-10-9-16(11-14(26)2)15-7-8-15)18-5-4-6-21(24-18)25-19-13-23-12-17(19)22/h3-4,6,9-11,15,17-19,23H,2,5,7-8,12-13H2,1H3,(H,24,25)/b20-3-.
What are the key properties of 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine?
2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine has a molecular weight of 354.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-cyclopropyl-2-methylidene-1-pyridinyl)prop-1-enyl]-N-(4-fluoropyrrolidin-3-yl)-2,3-dihydropyridin-6-amine is sourced from PubChem (CID 170189287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).