N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine

C26H27N5O — CID 4899703

IUPACN,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(CC)CC)Oc1ccc3ccccc3c1C2c1cccnc1
InChIInChI=1S/C26H27N5O/c1-3-30(4-2)14-15-31-17-29-26-24(25(31)27)22(19-9-7-13-28-16-19)23-20-10-6-5-8-18(20)11-12-21(23)32-26/h5-13,16-17,22,27H,3-4,14-15H2,1-2H3/b27-25-
InChIKeyBJWXZDKPAAQDRE-RFBIWTDZSA-N
MW425.54 g/mol
LogP4.54
Rot. Bonds6

About N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine

N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine (PubChem CID 4899703) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine
PubChem CID4899703
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(CC)CC)Oc1ccc3ccccc3c1C2c1cccnc1
InChIInChI=1S/C26H27N5O/c1-3-30(4-2)14-15-31-17-29-26-24(25(31)27)22(19-9-7-13-28-16-19)23-20-10-6-5-8-18(20)11-12-21(23)32-26/h5-13,16-17,22,27H,3-4,14-15H2,1-2H3/b27-25-
InChIKeyBJWXZDKPAAQDRE-RFBIWTDZSA-N
XLogP4.54
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine (CID 4899703) is N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine is [H]/N=c1/c2c(ncn1CCN(CC)CC)Oc1ccc3ccccc3c1C2c1cccnc1.
What is the InChIKey of N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine?
The InChIKey is BJWXZDKPAAQDRE-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-3-30(4-2)14-15-31-17-29-26-24(25(31)27)22(19-9-7-13-28-16-19)23-20-10-6-5-8-18(20)11-12-21(23)32-26/h5-13,16-17,22,27H,3-4,14-15H2,1-2H3/b27-25-.
What are the key properties of N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine?
N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine has a molecular weight of 425.54 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(16-imino-18-pyridin-3-yl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-15-yl)ethanamine is sourced from PubChem (CID 4899703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).