ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate

C25H34N6O3 — CID 5277362

IUPACethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(N(C)CCCN(CC)CC)c2ncc(-c3ccc(OC)cc3)nc2n1
InChIInChI=1S/C25H34N6O3/c1-6-31(7-2)15-9-14-30(4)21-16-22(29-25(32)34-8-3)28-24-23(21)26-17-20(27-24)18-10-12-19(33-5)13-11-18/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,27,28,29,32)
InChIKeyWZEJJIXKAMPWIL-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.44
Rot. Bonds11

About ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate

ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate (PubChem CID 5277362) has the molecular formula C25H34N6O3 and a molecular weight of 466.59 g/mol. Its IUPAC name is ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
PubChem CID5277362
Molecular FormulaC25H34N6O3
Molecular Weight466.59 g/mol
Exact Mass466.27
IUPAC Nameethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate
SMILESCCOC(=O)Nc1cc(N(C)CCCN(CC)CC)c2ncc(-c3ccc(OC)cc3)nc2n1
InChIInChI=1S/C25H34N6O3/c1-6-31(7-2)15-9-14-30(4)21-16-22(29-25(32)34-8-3)28-24-23(21)26-17-20(27-24)18-10-12-19(33-5)13-11-18/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,27,28,29,32)
InChIKeyWZEJJIXKAMPWIL-UHFFFAOYSA-N
XLogP4.44
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate?
The IUPAC name of ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate (CID 5277362) is ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate.
What is the SMILES notation for ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate?
The canonical SMILES for ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate is CCOC(=O)Nc1cc(N(C)CCCN(CC)CC)c2ncc(-c3ccc(OC)cc3)nc2n1.
What is the InChIKey of ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate?
The InChIKey is WZEJJIXKAMPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3/c1-6-31(7-2)15-9-14-30(4)21-16-22(29-25(32)34-8-3)28-24-23(21)26-17-20(27-24)18-10-12-19(33-5)13-11-18/h10-13,16-17H,6-9,14-15H2,1-5H3,(H,27,28,29,32).
What are the key properties of ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate?
ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate has a molecular weight of 466.59 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[8-[3-(diethylamino)propyl-methylamino]-3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]carbamate is sourced from PubChem (CID 5277362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).