6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane

C33H45N5O2 — CID 155749840

IUPAC6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane
SMILESC/C=c1/ncc(NC(C)c2cccc(NC(=O)c3cnc(OCC4CC4)c(C)c3)c2)n/c1=C\CC(C)C.CCC
InChIInChI=1S/C30H37N5O2.C3H8/c1-6-26-27(13-10-19(2)3)35-28(17-31-26)33-21(5)23-8-7-9-25(15-23)34-29(36)24-14-20(4)30(32-16-24)37-18-22-11-12-22;1-3-2/h6-9,13-17,19,21-22H,10-12,18H2,1-5H3,(H,33,35)(H,34,36);3H2,1-2H3/b26-6+,27-13-;
InChIKeyKMMMIYGPNLQJFR-NPFZCAJMSA-N
MW543.76 g/mol
LogP6.44
Rot. Bonds10

About 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane

6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane (PubChem CID 155749840) has the molecular formula C33H45N5O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane
PubChem CID155749840
Molecular FormulaC33H45N5O2
Molecular Weight543.76 g/mol
Exact Mass543.36
IUPAC Name6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane
SMILESC/C=c1/ncc(NC(C)c2cccc(NC(=O)c3cnc(OCC4CC4)c(C)c3)c2)n/c1=C\CC(C)C.CCC
InChIInChI=1S/C30H37N5O2.C3H8/c1-6-26-27(13-10-19(2)3)35-28(17-31-26)33-21(5)23-8-7-9-25(15-23)34-29(36)24-14-20(4)30(32-16-24)37-18-22-11-12-22;1-3-2/h6-9,13-17,19,21-22H,10-12,18H2,1-5H3,(H,33,35)(H,34,36);3H2,1-2H3/b26-6+,27-13-;
InChIKeyKMMMIYGPNLQJFR-NPFZCAJMSA-N
XLogP6.44
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane?
The IUPAC name of 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane (CID 155749840) is 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane.
What is the SMILES notation for 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane?
The canonical SMILES for 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane is C/C=c1/ncc(NC(C)c2cccc(NC(=O)c3cnc(OCC4CC4)c(C)c3)c2)n/c1=C\CC(C)C.CCC.
What is the InChIKey of 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane?
The InChIKey is KMMMIYGPNLQJFR-NPFZCAJMSA-N. The full InChI is InChI=1S/C30H37N5O2.C3H8/c1-6-26-27(13-10-19(2)3)35-28(17-31-26)33-21(5)23-8-7-9-25(15-23)34-29(36)24-14-20(4)30(32-16-24)37-18-22-11-12-22;1-3-2/h6-9,13-17,19,21-22H,10-12,18H2,1-5H3,(H,33,35)(H,34,36);3H2,1-2H3/b26-6+,27-13-;.
What are the key properties of 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane?
6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane has a molecular weight of 543.76 g/mol, XLogP of 6.44, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-N-[3-[1-[[(5E,6Z)-5-ethylidene-6-(3-methylbutylidene)pyrazin-2-yl]amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;propane is sourced from PubChem (CID 155749840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).