(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine

C23H32N6O — CID 154685077

IUPAC(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine
SMILESC=CC/N=C/C(=C\N)CNC1CCN(CCc2ccnc3ccc(OC)nc23)CC1
InChIInChI=1S/C23H32N6O/c1-3-10-25-16-18(15-24)17-27-20-8-13-29(14-9-20)12-7-19-6-11-26-21-4-5-22(30-2)28-23(19)21/h3-6,11,15-16,20,27H,1,7-10,12-14,17,24H2,2H3/b18-15+,25-16+
InChIKeyUKNBHFVMYXNOOR-HYKATDJESA-N
MW408.55 g/mol
LogP2.33
Rot. Bonds10

About (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine

(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine (PubChem CID 154685077) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine
PubChem CID154685077
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine
SMILESC=CC/N=C/C(=C\N)CNC1CCN(CCc2ccnc3ccc(OC)nc23)CC1
InChIInChI=1S/C23H32N6O/c1-3-10-25-16-18(15-24)17-27-20-8-13-29(14-9-20)12-7-19-6-11-26-21-4-5-22(30-2)28-23(19)21/h3-6,11,15-16,20,27H,1,7-10,12-14,17,24H2,2H3/b18-15+,25-16+
InChIKeyUKNBHFVMYXNOOR-HYKATDJESA-N
XLogP2.33
TPSA88.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3S)-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 59026168
1-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-1-methylhydrazine
CID 58919507
8-[2-(3-ethylpyrrolidin-1-yl)ethyl]-2-methoxy-1,5-naphthyridine
CID 71178673
4-[2-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethyl]-N,N-dimethylaniline
CID 165017215
2-methylpropyl N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]-N-methylcarbamate
CID 68852328
tert-butyl N-[3-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]-3-azabicyclo[4.1.0]heptan-6-yl]carbamate
CID 59776917
1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine;2-methoxy-8-(2-pyrrolidin-1-ylethyl)-1,5-naphthyridine
CID 143159535
8-(2-cyclohexylethyl)-2-methoxy-1,5-naphthyridine
CID 68566539
(2R)-1-[(3S)-3-ethenyl-1-heptylpiperidin-4-yl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propan-2-ol
CID 70206484
(3S,4S)-4-[[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-ol
CID 11677117
benzyl N-[[(3S,4S)-4-hydroxy-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 59026158
N'-[1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]butane-1,4-diamine
CID 143180996

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine (CID 154685077) is (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine is C=CC/N=C/C(=C\N)CNC1CCN(CCc2ccnc3ccc(OC)nc23)CC1.
What is the InChIKey of (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine?
The InChIKey is UKNBHFVMYXNOOR-HYKATDJESA-N. The full InChI is InChI=1S/C23H32N6O/c1-3-10-25-16-18(15-24)17-27-20-8-13-29(14-9-20)12-7-19-6-11-26-21-4-5-22(30-2)28-23(19)21/h3-6,11,15-16,20,27H,1,7-10,12-14,17,24H2,2H3/b18-15+,25-16+.
What are the key properties of (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine?
(Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine has a molecular weight of 408.55 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-2-(prop-2-enyliminomethyl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 154685077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).