N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide

C26H30N6O — CID 155750017

IUPACN-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide
SMILESCC/C=C/c1ncc(NC(C)c2cccc(NC(=O)c3ccc(C4CC4)nc3)c2)nc1NC
InChIInChI=1S/C26H30N6O/c1-4-5-9-23-25(27-3)32-24(16-29-23)30-17(2)19-7-6-8-21(14-19)31-26(33)20-12-13-22(28-15-20)18-10-11-18/h5-9,12-18H,4,10-11H2,1-3H3,(H,31,33)(H2,27,30,32)/b9-5+
InChIKeyDHEANPNBGWTAHM-WEVVVXLNSA-N
MW442.57 g/mol
LogP5.64
Rot. Bonds9

About N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide

N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide (PubChem CID 155750017) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide
PubChem CID155750017
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC NameN-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide
SMILESCC/C=C/c1ncc(NC(C)c2cccc(NC(=O)c3ccc(C4CC4)nc3)c2)nc1NC
InChIInChI=1S/C26H30N6O/c1-4-5-9-23-25(27-3)32-24(16-29-23)30-17(2)19-7-6-8-21(14-19)31-26(33)20-12-13-22(28-15-20)18-10-11-18/h5-9,12-18H,4,10-11H2,1-3H3,(H,31,33)(H2,27,30,32)/b9-5+
InChIKeyDHEANPNBGWTAHM-WEVVVXLNSA-N
XLogP5.64
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-5-chloropyridine-3-carboxamide
CID 155749909
N-[3-[1-[[(5E)-5-butylidene-6-methylidenepyrazin-2-yl]amino]ethyl]phenyl]-6-(cyclopropylamino)-5-methylpyridine-3-carboxamide;ethane;propane
CID 155750502
CID 155750297
CID 155750297
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
1-cyclopropyl-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850084
6-cyclopropyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 175906033
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
N-[3-[1-[(7-ethyl-2,5-diaza-7-azoniabicyclo[4.2.0]octa-1,3,5,7-tetraen-4-yl)amino]ethyl]phenyl]-5-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 155750488
4-ethoxy-3-methyl-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]benzamide
CID 175850169
N-[3-[(1S)-1-[[6-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]amino]ethyl]phenyl]-3-methylbenzamide
CID 59331766
N'-[1-[3-[[cyclopropylidene-(6-cyclopropyl-3-pyridinyl)methyl]amino]phenyl]ethyl]-N-(4-methyl-3H-pyrrol-2-yl)ethene-1,2-diamine
CID 155749772
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide (CID 155750017) is N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide is CC/C=C/c1ncc(NC(C)c2cccc(NC(=O)c3ccc(C4CC4)nc3)c2)nc1NC.
What is the InChIKey of N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide?
The InChIKey is DHEANPNBGWTAHM-WEVVVXLNSA-N. The full InChI is InChI=1S/C26H30N6O/c1-4-5-9-23-25(27-3)32-24(16-29-23)30-17(2)19-7-6-8-21(14-19)31-26(33)20-12-13-22(28-15-20)18-10-11-18/h5-9,12-18H,4,10-11H2,1-3H3,(H,31,33)(H2,27,30,32)/b9-5+.
What are the key properties of N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide?
N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide has a molecular weight of 442.57 g/mol, XLogP of 5.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-[(E)-but-1-enyl]-6-(methylamino)pyrazin-2-yl]amino]ethyl]phenyl]-6-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 155750017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).