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

C25H35N5O — CID 89085328

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2=CC(C)=C(N3CCOCC3)NC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C25H35N5O/c1-3-4-19-14-20(15-24(23(19)16-26)29-22-5-7-27-8-6-22)21-13-18(2)25(28-17-21)30-9-11-31-12-10-30/h3-4,13-16,22,27-29H,1,5-12,17,26H2,2H3/b19-4-,23-16+
InChIKeyJDOXFMZIEDNDJG-LEDGBDLESA-N
MW421.59 g/mol
LogP1.06
Rot. Bonds5

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

N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085328) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085328
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2=CC(C)=C(N3CCOCC3)NC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C25H35N5O/c1-3-4-19-14-20(15-24(23(19)16-26)29-22-5-7-27-8-6-22)21-13-18(2)25(28-17-21)30-9-11-31-12-10-30/h3-4,13-16,22,27-29H,1,5-12,17,26H2,2H3/b19-4-,23-16+
InChIKeyJDOXFMZIEDNDJG-LEDGBDLESA-N
XLogP1.06
TPSA74.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-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-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085328) is N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-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-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2=CC(C)=C(N3CCOCC3)NC2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is JDOXFMZIEDNDJG-LEDGBDLESA-N. The full InChI is InChI=1S/C25H35N5O/c1-3-4-19-14-20(15-24(23(19)16-26)29-22-5-7-27-8-6-22)21-13-18(2)25(28-17-21)30-9-11-31-12-10-30/h3-4,13-16,22,27-29H,1,5-12,17,26H2,2H3/b19-4-,23-16+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 421.59 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-(5-methyl-6-morpholin-4-yl-1,2-dihydropyridin-3-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).