N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C21H27FN4 — CID 89085336

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2=CNCC(C)=C2F)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C21H27FN4/c1-3-4-15-9-16(19-13-25-12-14(2)21(19)22)10-20(18(15)11-23)26-17-5-7-24-8-6-17/h3-4,9-11,13,17,24-26H,1,5-8,12,23H2,2H3/b15-4-,18-11+
InChIKeyAARDBXZFKPKXMI-RPSHANPRSA-N
MW354.47 g/mol
LogP1.70
Rot. Bonds4

About N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085336) has the molecular formula C21H27FN4 and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085336
Molecular FormulaC21H27FN4
Molecular Weight354.47 g/mol
Exact Mass354.22
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2=CNCC(C)=C2F)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C21H27FN4/c1-3-4-15-9-16(19-13-25-12-14(2)21(19)22)10-20(18(15)11-23)26-17-5-7-24-8-6-17/h3-4,9-11,13,17,24-26H,1,5-8,12,23H2,2H3/b15-4-,18-11+
InChIKeyAARDBXZFKPKXMI-RPSHANPRSA-N
XLogP1.70
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085336) is N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2=CNCC(C)=C2F)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is AARDBXZFKPKXMI-RPSHANPRSA-N. The full InChI is InChI=1S/C21H27FN4/c1-3-4-15-9-16(19-13-25-12-14(2)21(19)22)10-20(18(15)11-23)26-17-5-7-24-8-6-17/h3-4,9-11,13,17,24-26H,1,5-8,12,23H2,2H3/b15-4-,18-11+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 354.47 g/mol, XLogP of 1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).